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(CNCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000095620096 185016152 /nfs/dbraw/zinc/01/61/52/185016152.db2.gz JBAJOGOILSMZTE-GFCCVEGCSA-N 0 1 282.365 0.080 10 0 CCAEMN COCCCNC(=O)[C@H](C)N1CC[C@H](C)[C@@H](O)C1 ZINC000093344628 349540373 /nfs/dbraw/zinc/54/03/73/349540373.db2.gz MARNBIKVWBFKLO-SRVKXCTJSA-N 0 1 258.362 0.230 10 0 CCAEMN CNC(=O)NC(=O)CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000102699331 349683315 /nfs/dbraw/zinc/68/33/15/349683315.db2.gz LHIDPIYHKRUXLG-QMMMGPOBSA-N 0 1 283.303 0.941 10 0 CCAEMN COc1ccccc1C(C)(C)NCC(=O)NC(N)=O ZINC000103484610 349701215 /nfs/dbraw/zinc/70/12/15/349701215.db2.gz YHMBUCIOJCGYLP-UHFFFAOYSA-N 0 1 265.313 0.715 10 0 CCAEMN CC(=O)NCCCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000105139610 349720549 /nfs/dbraw/zinc/72/05/49/349720549.db2.gz BOPIGVFGFFZEPV-CYBMUJFWSA-N 0 1 282.388 0.392 10 0 CCAEMN Cc1nnc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)o1 ZINC000105822456 349724922 /nfs/dbraw/zinc/72/49/22/349724922.db2.gz RICOHCHLMRIRKV-NXEZZACHSA-N 0 1 254.334 0.265 10 0 CCAEMN O=C(CN1CCC[C@@H](Cn2cncn2)C1)NC1CC1 ZINC000105883084 349726774 /nfs/dbraw/zinc/72/67/74/349726774.db2.gz BFOQFOPYHTXJLM-LLVKDONJSA-N 0 1 263.345 0.269 10 0 CCAEMN CNC(=O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909816 349727618 /nfs/dbraw/zinc/72/76/18/349727618.db2.gz RMZCBKBUEJFYRZ-LLVKDONJSA-N 0 1 263.345 0.123 10 0 CCAEMN COC(=O)c1cnc(N2CCN3CCCC[C@@H]3C2)nc1 ZINC000113033987 349800349 /nfs/dbraw/zinc/80/03/49/349800349.db2.gz RJNQZOCXWJQOJN-GFCCVEGCSA-N 0 1 276.340 0.938 10 0 CCAEMN COCCCNC(=O)[C@@H](C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116321286 349867740 /nfs/dbraw/zinc/86/77/40/349867740.db2.gz RDMWLHHFLVZNPU-OLZOCXBDSA-N 0 1 294.399 0.751 10 0 CCAEMN O=C(CC(F)(F)F)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000404031020 290765277 /nfs/dbraw/zinc/76/52/77/290765277.db2.gz XCCLAFWHNRHVBR-HTQZYQBOSA-N 0 1 252.236 0.528 10 0 CCAEMN COC[C@H](N)C(=O)NC[C@H](O)c1ccc(C)cc1 ZINC000262181688 137029731 /nfs/dbraw/zinc/02/97/31/137029731.db2.gz BPNISMXUATWWIH-RYUDHWBXSA-N 0 1 252.314 0.118 10 0 CCAEMN COC[C@H](N)C(=O)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000262264481 137033584 /nfs/dbraw/zinc/03/35/84/137033584.db2.gz JTRUEMPGVHMQPG-NEPJUHHUSA-N 0 1 280.372 0.411 10 0 CCAEMN NC(=O)[C@]1(O)CCCN(CCOc2ccccc2F)C1 ZINC000312648871 137077396 /nfs/dbraw/zinc/07/73/96/137077396.db2.gz KOXNKPRSHINPPR-AWEZNQCLSA-N 0 1 282.315 0.517 10 0 CCAEMN C[C@H](NC(=O)N[C@H]1CCO[C@@H]1C1CC1)c1nnc[nH]1 ZINC000332841200 137081162 /nfs/dbraw/zinc/08/11/62/137081162.db2.gz KOQCIXWKKABKGJ-UJNFCWOMSA-N 0 1 265.317 0.732 10 0 CCAEMN O=C([O-])[C@@H]1CS[C@H](COc2ccccc2O)[NH2+]1 ZINC000027563526 348100562 /nfs/dbraw/zinc/10/05/62/348100562.db2.gz IYYYFSJXZPBIQS-OIBJUYFYSA-N 0 1 255.295 0.887 10 0 CCAEMN Cc1ccc([C@H](C)NC[C@H](O)CN2CCOCC2)o1 ZINC000038097648 348227086 /nfs/dbraw/zinc/22/70/86/348227086.db2.gz UOBHOQFNVBNJEQ-STQMWFEESA-N 0 1 268.357 0.932 10 0 CCAEMN O=C(NCc1ccc(-c2cc[nH]n2)cc1)[C@H]1CNCCO1 ZINC000043800544 348314913 /nfs/dbraw/zinc/31/49/13/348314913.db2.gz CIIJVROGHCNHGL-CQSZACIVSA-N 0 1 286.335 0.681 10 0 CCAEMN O=C(NCc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CNCCO1 ZINC000043800542 348315238 /nfs/dbraw/zinc/31/52/38/348315238.db2.gz CIIJVROGHCNHGL-AWEZNQCLSA-N 0 1 286.335 0.681 10 0 CCAEMN CCC1CCC(NC(=O)C(=O)N2CCNCC2)CC1 ZINC000049124363 348442636 /nfs/dbraw/zinc/44/26/36/348442636.db2.gz NWOIAGBDRAYCQG-UHFFFAOYSA-N 0 1 267.373 0.503 10 0 CCAEMN C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCNCC1 ZINC000058040668 348620635 /nfs/dbraw/zinc/62/06/35/348620635.db2.gz CEGMOPUWSOHVSM-SNVBAGLBSA-N 0 1 271.361 0.579 10 0 CCAEMN COC(=O)[C@@H]1C[C@H]1C(=O)NCCCc1cn[nH]c1C ZINC000076432115 349083728 /nfs/dbraw/zinc/08/37/28/349083728.db2.gz KSJAWFCHHPBJAP-GHMZBOCLSA-N 0 1 265.313 0.576 10 0 CCAEMN C[C@@H]1COC[C@H](C)N1CCC(=O)N1CCOCC1 ZINC000120963186 350015035 /nfs/dbraw/zinc/01/50/35/350015035.db2.gz ZUSBKTSPDYIQJV-TXEJJXNPSA-N 0 1 256.346 0.345 10 0 CCAEMN COc1c(CN2CC[C@H](N3CCOCC3)C2)c(C)nn1C ZINC000121036061 350018755 /nfs/dbraw/zinc/01/87/55/350018755.db2.gz ATWOZAYSCMGKJR-ZDUSSCGKSA-N 0 1 294.399 0.644 10 0 CCAEMN CN(C(=O)c1ccn[nH]1)[C@H]1CCCN(c2cccnn2)C1 ZINC000121938817 350060604 /nfs/dbraw/zinc/06/06/04/350060604.db2.gz UOUDKAHJNGKSPH-NSHDSACASA-N 0 1 286.339 0.941 10 0 CCAEMN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)NC(=O)NC1CC1 ZINC000128523756 350194788 /nfs/dbraw/zinc/19/47/88/350194788.db2.gz WZRKTVJLMJYHGQ-XHDPSFHLSA-N 0 1 295.383 0.602 10 0 CCAEMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCNC(=O)CC1 ZINC000105182024 186044315 /nfs/dbraw/zinc/04/43/15/186044315.db2.gz RGACXOXDGFLMLP-CHWSQXEVSA-N 0 1 296.415 0.638 10 0 CCAEMN C[C@@H]1CN(Cc2ccnn2C)C[C@@H]1N1CCOCC1 ZINC000130254495 350233238 /nfs/dbraw/zinc/23/32/38/350233238.db2.gz ZJEINLYCXAKRKD-OCCSQVGLSA-N 0 1 264.373 0.573 10 0 CCAEMN COCCNCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000105674541 186068072 /nfs/dbraw/zinc/06/80/72/186068072.db2.gz IPKBJOARJQWFOY-UHFFFAOYSA-N 0 1 291.351 0.753 10 0 CCAEMN CCN1CCO[C@H](CNCc2c(C)nn(C)c2OC)C1 ZINC000134439328 350364661 /nfs/dbraw/zinc/36/46/61/350364661.db2.gz FMPSVIOZEXVEOA-GFCCVEGCSA-N 0 1 282.388 0.547 10 0 CCAEMN CNC(=O)CN1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105919938 186089290 /nfs/dbraw/zinc/08/92/90/186089290.db2.gz RTYOZSQCXGVIOZ-LBPRGKRZSA-N 0 1 265.361 0.353 10 0 CCAEMN CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000141452863 350453918 /nfs/dbraw/zinc/45/39/18/350453918.db2.gz ZXAIFUTVPPDHLL-RYUDHWBXSA-N 0 1 262.309 0.850 10 0 CCAEMN CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000141452863 350453922 /nfs/dbraw/zinc/45/39/22/350453922.db2.gz ZXAIFUTVPPDHLL-RYUDHWBXSA-N 0 1 262.309 0.850 10 0 CCAEMN CC(C)(C)OC(=O)N[C@H]1CCS(=O)(=O)C[C@@H]1N ZINC000142584653 350457034 /nfs/dbraw/zinc/45/70/34/350457034.db2.gz POPSAHJDHHOFHE-YUMQZZPRSA-N 0 1 264.347 0.026 10 0 CCAEMN CCN(CC(=O)N[C@@H]1CCc2ncnn2C1)C1CC1 ZINC000152536601 350532612 /nfs/dbraw/zinc/53/26/12/350532612.db2.gz NGBSJDUABIJAGU-SNVBAGLBSA-N 0 1 263.345 0.193 10 0 CCAEMN C[C@H](CNC(=O)[C@H]1CC[C@@H](C)O1)N1CCN(C)CC1 ZINC000154684611 350596973 /nfs/dbraw/zinc/59/69/73/350596973.db2.gz NTPPSBIALCIHSQ-JHJVBQTASA-N 0 1 269.389 0.306 10 0 CCAEMN O=c1[nH]cnc(N2CCC[C@H](O)C2)c1Br ZINC000165390489 350790217 /nfs/dbraw/zinc/79/02/17/350790217.db2.gz PDHCDADEQDJOJL-LURJTMIESA-N 0 1 274.118 0.494 10 0 CCAEMN C[C@@H]1COCCN1c1nc[nH]c(=O)c1Br ZINC000167397359 350809533 /nfs/dbraw/zinc/80/95/33/350809533.db2.gz QYBBZQXJHSCVRM-ZCFIWIBFSA-N 0 1 274.118 0.758 10 0 CCAEMN O=S(=O)(CC1CCOCC1)N1CCN2CCC[C@H]2C1 ZINC000173135015 351027940 /nfs/dbraw/zinc/02/79/40/351027940.db2.gz ZHBNNQKJHGCTSN-ZDUSSCGKSA-N 0 1 288.413 0.523 10 0 CCAEMN Cc1cc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)n(C)n1 ZINC000173527766 351044150 /nfs/dbraw/zinc/04/41/50/351044150.db2.gz GSLDYMAIXQLFFP-LLVKDONJSA-N 0 1 290.327 0.369 10 0 CCAEMN Cc1nc([C@@H]2CN(C(=O)c3cnn(C)c3)CCO2)n[nH]1 ZINC000173550487 351044931 /nfs/dbraw/zinc/04/49/31/351044931.db2.gz BPJKBYOJQRKHLE-JTQLQIEISA-N 0 1 276.300 0.060 10 0 CCAEMN Cc1nc([C@H]2CN(CC(=O)OC(C)(C)C)CCO2)n[nH]1 ZINC000173665929 351049610 /nfs/dbraw/zinc/04/96/10/351049610.db2.gz PVRCAJQOCJSPRZ-SNVBAGLBSA-N 0 1 282.344 0.828 10 0 CCAEMN CCCS(=O)(=O)N1CCO[C@H](c2n[nH]c(CC)n2)C1 ZINC000173737830 351051832 /nfs/dbraw/zinc/05/18/32/351051832.db2.gz IOSSFNNZKQRCNO-VIFPVBQESA-N 0 1 288.373 0.480 10 0 CCAEMN CNC(=O)NC(=O)[C@@H](C)N1CCN2CCCC[C@@H]2C1 ZINC000172805534 351011537 /nfs/dbraw/zinc/01/15/37/351011537.db2.gz IVUGUAPCXAZWMN-GHMZBOCLSA-N 0 1 268.361 0.001 10 0 CCAEMN C[NH+](C)C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])CCO1 ZINC000175240201 351123395 /nfs/dbraw/zinc/12/33/95/351123395.db2.gz NWXNBHMMMHLLAF-NSHDSACASA-N 0 1 282.315 0.934 10 0 CCAEMN CC[C@H](O)CN1CCN(Cc2ccoc2C(=O)OC)CC1 ZINC000174071772 351068535 /nfs/dbraw/zinc/06/85/35/351068535.db2.gz ZIYQQWGONCXZPB-ZDUSSCGKSA-N 0 1 296.367 0.955 10 0 CCAEMN CN(C)c1ncc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000178908763 351252176 /nfs/dbraw/zinc/25/21/76/351252176.db2.gz ZZBGQDHXMATVMX-GFCCVEGCSA-N 0 1 290.371 0.855 10 0 CCAEMN C[C@@H]1CN(Cc2cncn2C)C[C@@H]1N1CCOCC1 ZINC000177233060 351198168 /nfs/dbraw/zinc/19/81/68/351198168.db2.gz XRQQVHYKARTLCX-OCCSQVGLSA-N 0 1 264.373 0.573 10 0 CCAEMN C[C@@H]1CN(C(=O)CN2CCN3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000177780810 351213427 /nfs/dbraw/zinc/21/34/27/351213427.db2.gz HQHSCEWHPYITMV-QLFBSQMISA-N 0 1 295.427 0.792 10 0 CCAEMN CCc1nc(CN2CCN(c3cc(C)[nH]n3)CC2)n[nH]1 ZINC000187274968 351535905 /nfs/dbraw/zinc/53/59/05/351535905.db2.gz UZTQLMCETNCDEH-UHFFFAOYSA-N 0 1 275.360 0.721 10 0 CCAEMN COC(=O)C[C@H]1CCCN1C(=O)c1[nH]nc2c1CNCC2 ZINC000188965739 351643021 /nfs/dbraw/zinc/64/30/21/351643021.db2.gz UCYXYVVTVFAONC-SECBINFHSA-N 0 1 292.339 0.223 10 0 CCAEMN CC[C@H](O)CN1CCN([C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192604889 351791589 /nfs/dbraw/zinc/79/15/89/351791589.db2.gz HDNWASIUASFVRQ-OLZOCXBDSA-N 0 1 294.399 0.940 10 0 CCAEMN C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195335140 351909868 /nfs/dbraw/zinc/90/98/68/351909868.db2.gz KHTWNWZQOMRVDE-WCQYABFASA-N 0 1 291.351 0.705 10 0 CCAEMN NC(=O)NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000195515676 351916242 /nfs/dbraw/zinc/91/62/42/351916242.db2.gz GOTKMNZHVLIHHY-SNVBAGLBSA-N 0 1 277.328 0.010 10 0 CCAEMN CN(C)C(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000195515678 351916471 /nfs/dbraw/zinc/91/64/71/351916471.db2.gz LZHQHPFRZIJIQZ-LBPRGKRZSA-N 0 1 262.357 0.904 10 0 CCAEMN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C)O1)N1CCN(C)CC1 ZINC000246032375 352345859 /nfs/dbraw/zinc/34/58/59/352345859.db2.gz NTPPSBIALCIHSQ-YNEHKIRRSA-N 0 1 269.389 0.306 10 0 CCAEMN CC(C)NC(=O)NC(=O)[C@H](C)N1CCN2CCCC[C@H]2C1 ZINC000246157788 352350869 /nfs/dbraw/zinc/35/08/69/352350869.db2.gz HJDRVZMIABVEQM-STQMWFEESA-N 0 1 296.415 0.779 10 0 CCAEMN CSCCC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246616956 352375359 /nfs/dbraw/zinc/37/53/59/352375359.db2.gz CRLGAIOMKHJMKP-MNOVXSKESA-N 0 1 260.403 0.653 10 0 CCAEMN CCOC(=O)[C@H](C)N1CCN(CCOC)[C@@H](C)C1 ZINC000247397294 352413208 /nfs/dbraw/zinc/41/32/08/352413208.db2.gz XYAIWCOHQUWIRQ-RYUDHWBXSA-N 0 1 258.362 0.591 10 0 CCAEMN Cn1ccc(N2CCC[C@H](N3CC[C@](C)(O)C3)C2=O)n1 ZINC000248332034 352434868 /nfs/dbraw/zinc/43/48/68/352434868.db2.gz FEHKWLYPYYJSJJ-FZMZJTMJSA-N 0 1 278.356 0.372 10 0 CCAEMN CCCCNC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000247190796 352404112 /nfs/dbraw/zinc/40/41/12/352404112.db2.gz ODMRMBAFTFYKRC-MJBXVCDLSA-N 0 1 285.432 0.678 10 0 CCAEMN CC[C@H]1CN(C(=O)[C@@H]2CCCO2)CCN1C[C@H](C)O ZINC000252735156 352524284 /nfs/dbraw/zinc/52/42/84/352524284.db2.gz JBLHOIKGZSEPLT-AVGNSLFASA-N 0 1 270.373 0.469 10 0 CCAEMN CCN(CC(=O)NCCn1cc(C)cn1)C1CC1 ZINC000152757889 188042218 /nfs/dbraw/zinc/04/22/18/188042218.db2.gz YGGGLZNAEAUDHS-UHFFFAOYSA-N 0 1 250.346 0.792 10 0 CCAEMN CCc1nc([C@H]2CN(Cc3cn(C)nc3C)CCO2)n[nH]1 ZINC000156702078 188277292 /nfs/dbraw/zinc/27/72/92/188277292.db2.gz GMZOMODIEWUHLX-GFCCVEGCSA-N 0 1 290.371 0.983 10 0 CCAEMN CCOC(=O)CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173681726 137666623 /nfs/dbraw/zinc/66/66/23/137666623.db2.gz PMCFPLYNHPBGDJ-SECBINFHSA-N 0 1 254.290 0.050 10 0 CCAEMN CNc1nc(C)cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000287407216 353644532 /nfs/dbraw/zinc/64/45/32/353644532.db2.gz FBMZCBCQQOUOIZ-NSHDSACASA-N 0 1 275.356 0.747 10 0 CCAEMN Cc1cc(=O)n2nc(CN3CC[C@H](C)[C@H](O)C3)sc2n1 ZINC000299907291 354056067 /nfs/dbraw/zinc/05/60/67/354056067.db2.gz RKNPCDZVSJKQAB-WCBMZHEXSA-N 0 1 294.380 0.662 10 0 CCAEMN O=C1NC[C@@H]2[C@H]1CCCN2C[C@H](O)c1ccccc1 ZINC000300077176 354058172 /nfs/dbraw/zinc/05/81/72/354058172.db2.gz ZDPVYSAPWTWCSQ-MCIONIFRSA-N 0 1 260.337 0.930 10 0 CCAEMN O=S1(=O)CCCN1CCN1CCC[C@H](c2nnc[nH]2)C1 ZINC000328671464 202002230 /nfs/dbraw/zinc/00/22/30/202002230.db2.gz NJWDLQFQCFSKGY-NSHDSACASA-N 0 1 299.400 0.020 10 0 CCAEMN CN(CC(=O)[O-])[C@H]1C[N@@H+](CCc2cccs2)C[C@H]1O ZINC000328603379 354235147 /nfs/dbraw/zinc/23/51/47/354235147.db2.gz FZKFETZPVQOHLC-NWDGAFQWSA-N 0 1 284.381 0.352 10 0 CCAEMN 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0 CCAEMN Cc1cc(C)nc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000723872156 978219396 /nfs/dbraw/zinc/21/93/96/978219396.db2.gz WIOKPGWBPMSILV-VXGBXAGGSA-N 0 1 250.298 0.718 10 0 CCAEMN Cc1cc(C)nc(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000723872156 978219403 /nfs/dbraw/zinc/21/94/03/978219403.db2.gz WIOKPGWBPMSILV-VXGBXAGGSA-N 0 1 250.298 0.718 10 0 CCAEMN C[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H]2CCCS2(=O)=O)C1 ZINC000822172565 978928338 /nfs/dbraw/zinc/92/83/38/978928338.db2.gz OQJWPGIVQALOBO-PWSUYJOCSA-N 0 1 275.370 0.750 10 0 CCAEMN Cc1ccc(O)c(CN[C@H]2CCS(=O)(=O)C2)n1 ZINC000103341147 349698318 /nfs/dbraw/zinc/69/83/18/349698318.db2.gz FYWNZFFWIIHUBO-VIFPVBQESA-N 0 1 256.327 0.372 10 0 CCAEMN CCOCCN1CCN(Cc2nncn2C)C[C@H]1CC ZINC000105838616 349725763 /nfs/dbraw/zinc/72/57/63/349725763.db2.gz QPZJYMDXNLVBRV-CYBMUJFWSA-N 0 1 281.404 0.748 10 0 CCAEMN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)NC3CC3)C2)n1 ZINC000105884812 349727999 /nfs/dbraw/zinc/72/79/99/349727999.db2.gz ZSFTXSTYUVNFKI-CYBMUJFWSA-N 0 1 291.399 0.886 10 0 CCAEMN CCOc1ccnc(N2CCN(CCCCO)CC2)n1 ZINC000105917205 349729230 /nfs/dbraw/zinc/72/92/30/349729230.db2.gz DVRMJVPZDFTGLJ-UHFFFAOYSA-N 0 1 280.372 0.770 10 0 CCAEMN CCC[C@@H](C(=O)N(C)CC(=O)NC(C)C)N(C)C ZINC000153566667 290678622 /nfs/dbraw/zinc/67/86/22/290678622.db2.gz BZBZARPYQAXERN-NSHDSACASA-N 0 1 257.378 0.700 10 0 CCAEMN Cn1cc([C@H]2CCN(CC(=O)N3CCCC3)C2)cn1 ZINC000116408263 349870098 /nfs/dbraw/zinc/87/00/98/349870098.db2.gz QCVPUNOMMIYHQY-LBPRGKRZSA-N 0 1 262.357 0.832 10 0 CCAEMN CC[C@@H]1CN(C(=O)Nc2ccn(C)n2)CCN1CCOC ZINC000117452391 349886112 /nfs/dbraw/zinc/88/61/12/349886112.db2.gz PZGPQODHZQZEFG-GFCCVEGCSA-N 0 1 295.387 0.995 10 0 CCAEMN Cc1cnn(CCNC(=O)c2ccc3[nH]nnc3c2)c1 ZINC000117810852 349890997 /nfs/dbraw/zinc/89/09/97/349890997.db2.gz IJGAIPCABHMYLC-UHFFFAOYSA-N 0 1 270.296 0.893 10 0 CCAEMN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000261659688 137014652 /nfs/dbraw/zinc/01/46/52/137014652.db2.gz FTXZYOKNQAFZJL-LURJTMIESA-N 0 1 282.287 0.990 10 0 CCAEMN COC[C@H](N)C(=O)NCc1c(OC)cc(OC)cc1OC ZINC000262377930 137041020 /nfs/dbraw/zinc/04/10/20/137041020.db2.gz XMUMMJCWVHEFDR-NSHDSACASA-N 0 1 298.339 0.302 10 0 CCAEMN Cc1cc(=O)[nH]cc1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000253552673 352537575 /nfs/dbraw/zinc/53/75/75/352537575.db2.gz MYVNQOPOEOERCX-NEPJUHHUSA-N 0 1 293.367 0.623 10 0 CCAEMN C[C@@H](O)CN1CCN(Cc2csnn2)C[C@@H]1C ZINC000120653520 349998545 /nfs/dbraw/zinc/99/85/45/349998545.db2.gz OPUQGAVOLALTKM-VHSXEESVSA-N 0 1 256.375 0.425 10 0 CCAEMN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCNCC1 ZINC000058040652 348620578 /nfs/dbraw/zinc/62/05/78/348620578.db2.gz WSWFIVDZAHHZCS-UHFFFAOYSA-N 0 1 271.361 0.722 10 0 CCAEMN c1nc2c(ncnc2NC[C@@H]2CN(C3CC3)CCO2)[nH]1 ZINC000066745873 348755472 /nfs/dbraw/zinc/75/54/72/348755472.db2.gz VSZZTCMKZSLLRV-SNVBAGLBSA-N 0 1 274.328 0.628 10 0 CCAEMN CNC(=O)c1ccc(CN2CCC[C@@H]2C(N)=O)cc1 ZINC000066951535 348763589 /nfs/dbraw/zinc/76/35/89/348763589.db2.gz VCUDHXUKWBRWMG-GFCCVEGCSA-N 0 1 261.325 0.496 10 0 CCAEMN O=C1CCCN1CCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000121647580 350049211 /nfs/dbraw/zinc/04/92/11/350049211.db2.gz ZFHBPKYTQYAZRT-LLVKDONJSA-N 0 1 263.345 0.954 10 0 CCAEMN O=C(CCN1CCCC[C@H]1c1nnc[nH]1)N1CCOCC1 ZINC000121789664 350056580 /nfs/dbraw/zinc/05/65/80/350056580.db2.gz JQXRGVZTZSGZSR-LBPRGKRZSA-N 0 1 293.371 0.581 10 0 CCAEMN Cc1nc([C@H]2CN(C(=O)[C@@H]3CCCCO3)CCO2)n[nH]1 ZINC000125038402 350113643 /nfs/dbraw/zinc/11/36/43/350113643.db2.gz CTIXTQBFDPHZQC-WDEREUQCSA-N 0 1 280.328 0.582 10 0 CCAEMN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)N1CCOCC1 ZINC000128385390 350192139 /nfs/dbraw/zinc/19/21/39/350192139.db2.gz JNGOVJDCOYYBHL-DZGCQCFKSA-N 0 1 282.384 0.472 10 0 CCAEMN CCOCCN1CCN(Cc2nccc(N)n2)C[C@@H]1CC ZINC000135050918 350383222 /nfs/dbraw/zinc/38/32/22/350383222.db2.gz ANMMYIGNUVDJDP-ZDUSSCGKSA-N 0 1 293.415 0.992 10 0 CCAEMN COCCCN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892602 186083938 /nfs/dbraw/zinc/08/39/38/186083938.db2.gz LHYHDZIDGCVQJO-CYBMUJFWSA-N 0 1 253.346 0.929 10 0 CCAEMN COCCN1CCN(Cc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000105833138 186076705 /nfs/dbraw/zinc/07/67/05/186076705.db2.gz VGHMFSDCWBPKAU-ZDUSSCGKSA-N 0 1 291.395 0.938 10 0 CCAEMN COCCN1CCN(CC(=O)OC(C)(C)C)C[C@H]1C ZINC000105913443 186089812 /nfs/dbraw/zinc/08/98/12/186089812.db2.gz QIRLGSWJZIBAIZ-GFCCVEGCSA-N 0 1 272.389 0.981 10 0 CCAEMN COCCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106423733 186116523 /nfs/dbraw/zinc/11/65/23/186116523.db2.gz KFWCBAKGRQBAKD-CYBMUJFWSA-N 0 1 250.342 0.922 10 0 CCAEMN COCCCNC(=O)CN1CCC(Cn2cccn2)CC1 ZINC000105920193 186091299 /nfs/dbraw/zinc/09/12/99/186091299.db2.gz LRZPDSDLQIXGQI-UHFFFAOYSA-N 0 1 294.399 0.748 10 0 CCAEMN CCNC(=O)CCN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892520 186084391 /nfs/dbraw/zinc/08/43/91/186084391.db2.gz ZIHOIIIHWNYDER-CYBMUJFWSA-N 0 1 280.372 0.419 10 0 CCAEMN CC(C)c1noc(N2C[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC000153149662 350554329 /nfs/dbraw/zinc/55/43/29/350554329.db2.gz GGMVJOUUDWBESV-NXEZZACHSA-N 0 1 252.318 0.712 10 0 CCAEMN CC[C@@H]1CN(CC(=O)NCC2CCC2)CCN1CCOC ZINC000108867468 186232698 /nfs/dbraw/zinc/23/26/98/186232698.db2.gz DINCMMAVPFFHMN-OAHLLOKOSA-N 0 1 297.443 0.945 10 0 CCAEMN CCOC(=O)CCCCCN1CCOC[C@@H]1CO ZINC000168263253 350822876 /nfs/dbraw/zinc/82/28/76/350822876.db2.gz IQVSESNZDQRXOZ-LBPRGKRZSA-N 0 1 259.346 0.803 10 0 CCAEMN CC[C@H]1CN(C(=O)NCCCOC)CCN1CCOC ZINC000172320754 350976466 /nfs/dbraw/zinc/97/64/66/350976466.db2.gz JVECFGWJPIIILP-ZDUSSCGKSA-N 0 1 287.404 0.775 10 0 CCAEMN O=C(CN1C[C@H]2CCC[C@@H](C1)C2O)NC1CCOCC1 ZINC000172038372 350954550 /nfs/dbraw/zinc/95/45/50/350954550.db2.gz NMWJHELHVRXVNQ-ODOQXGPZSA-N 0 1 282.384 0.374 10 0 CCAEMN CCOCCCNC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000175294225 351124498 /nfs/dbraw/zinc/12/44/98/351124498.db2.gz AEOGGTBUGDFPLZ-NSHDSACASA-N 0 1 297.359 0.623 10 0 CCAEMN Cc1cc(CC(=O)N2CCN3CCCC[C@H]3C2)[nH]n1 ZINC000176091514 351157233 /nfs/dbraw/zinc/15/72/33/351157233.db2.gz XSXMYKLWWLXEDX-ZDUSSCGKSA-N 0 1 262.357 0.957 10 0 CCAEMN CCOCCN1CCN(Cc2c[nH]cn2)C[C@@H]1C ZINC000179511121 351269956 /nfs/dbraw/zinc/26/99/56/351269956.db2.gz JLNKXUWYUIWGTF-LBPRGKRZSA-N 0 1 252.362 0.952 10 0 CCAEMN CCc1nc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)n[nH]1 ZINC000181692382 351332949 /nfs/dbraw/zinc/33/29/49/351332949.db2.gz DACRKZMUDZGCKO-GFCCVEGCSA-N 0 1 290.371 0.773 10 0 CCAEMN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000188516534 351603367 /nfs/dbraw/zinc/60/33/67/351603367.db2.gz NZWPECPOEJJTOV-QWHCGFSZSA-N 0 1 297.399 0.034 10 0 CCAEMN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000188917528 351639479 /nfs/dbraw/zinc/63/94/79/351639479.db2.gz JLIFZFOOQPZGCK-NXEZZACHSA-N 0 1 276.340 0.567 10 0 CCAEMN CO[C@H](C)[C@H](C)NC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000190671066 351729607 /nfs/dbraw/zinc/72/96/07/351729607.db2.gz IEKNHEZIFVUNCD-NGZCFLSTSA-N 0 1 297.359 0.619 10 0 CCAEMN CN1CCC[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000191107882 351746569 /nfs/dbraw/zinc/74/65/69/351746569.db2.gz FFKCSTVCALRTET-ZFWWWQNUSA-N 0 1 260.337 0.809 10 0 CCAEMN CN1CCCN([C@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000191107882 351746572 /nfs/dbraw/zinc/74/65/72/351746572.db2.gz FFKCSTVCALRTET-ZFWWWQNUSA-N 0 1 260.337 0.809 10 0 CCAEMN COCCN1CC[N@H+](CCn2ccnc2)C[C@@H]1C ZINC000122657651 187044533 /nfs/dbraw/zinc/04/45/33/187044533.db2.gz ZEBOQSSFGQVZRQ-ZDUSSCGKSA-N 0 1 252.362 0.536 10 0 CCAEMN Cc1cc(C(=O)N2CCC[C@H](c3nncn3C)C2)n[nH]1 ZINC000193906335 351848206 /nfs/dbraw/zinc/84/82/06/351848206.db2.gz IMMDQKFPFOGPEC-JTQLQIEISA-N 0 1 274.328 0.866 10 0 CCAEMN C[C@@H](C(=O)N1CCCN(C2CC2)CC1)n1cncn1 ZINC000194534501 351873828 /nfs/dbraw/zinc/87/38/28/351873828.db2.gz RVYJWRNCUOVJRK-NSHDSACASA-N 0 1 263.345 0.536 10 0 CCAEMN CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000194549512 351874116 /nfs/dbraw/zinc/87/41/16/351874116.db2.gz MQBGEKDXKUSFIE-ABAIWWIYSA-N 0 1 296.367 0.655 10 0 CCAEMN COCCOCCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195045501 351894441 /nfs/dbraw/zinc/89/44/41/351894441.db2.gz BDEJKGDHSHAISO-ZDUSSCGKSA-N 0 1 270.373 0.736 10 0 CCAEMN C[C@@H](C(=O)NC(N)=O)N1CCC(c2cc[nH]n2)CC1 ZINC000195506394 351916163 /nfs/dbraw/zinc/91/61/63/351916163.db2.gz RLJQMIAZSJVGKJ-QMMMGPOBSA-N 0 1 265.317 0.173 10 0 CCAEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)[C@@H]1CNC(=O)C1 ZINC000227354104 352046550 /nfs/dbraw/zinc/04/65/50/352046550.db2.gz JPCVWYUMGSVGLR-GRYCIOLGSA-N 0 1 265.357 0.208 10 0 CCAEMN CC(C)CNC(=O)NC(=O)CN1CC[C@H](CCO)C1 ZINC000227573247 352054479 /nfs/dbraw/zinc/05/44/79/352054479.db2.gz HBUWSKVCSXWDGO-LLVKDONJSA-N 0 1 271.361 0.173 10 0 CCAEMN N[C@H]1CN(c2ccccc2I)C1=O ZINC000227619897 352055843 /nfs/dbraw/zinc/05/58/43/352055843.db2.gz XNIBPOOXQYCHNY-ZETCQYMHSA-N 0 1 288.088 0.965 10 0 CCAEMN C[C@H](N[C@H](CO)c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000245909007 352341210 /nfs/dbraw/zinc/34/12/10/352341210.db2.gz UVKJLJJZSNJRLG-NWANDNLSSA-N 0 1 292.379 0.993 10 0 CCAEMN C[C@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1N1CCOCC1 ZINC000246289530 352360128 /nfs/dbraw/zinc/36/01/28/352360128.db2.gz AYOAUOHSBMYKCV-GXTWGEPZSA-N 0 1 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295.387 0.647 10 0 CCAEMN Cc1nc([C@H]2CN(C(=O)CC(F)(F)F)CCO2)n[nH]1 ZINC000173537551 351043468 /nfs/dbraw/zinc/04/34/68/351043468.db2.gz MGBPIXQWBQXICF-SSDOTTSWSA-N 0 1 278.234 0.965 10 0 CCAEMN Cc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n[nH]1 ZINC000173849751 351057715 /nfs/dbraw/zinc/05/77/15/351057715.db2.gz KIGCKRVUUGFFAY-GWCFXTLKSA-N 0 1 278.356 0.511 10 0 CCAEMN FC(F)(F)COCCN1CC[C@@H](N2CCOCC2)C1 ZINC000173954371 351064498 /nfs/dbraw/zinc/06/44/98/351064498.db2.gz AOXFTUCWMCZYLK-LLVKDONJSA-N 0 1 282.306 0.972 10 0 CCAEMN CCNC(=O)CCCC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174334112 351078987 /nfs/dbraw/zinc/07/89/87/351078987.db2.gz XJHZAEWEUPEFBS-CHWSQXEVSA-N 0 1 299.415 0.206 10 0 CCAEMN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)CS(C)(=O)=O ZINC000176993870 351189999 /nfs/dbraw/zinc/18/99/99/351189999.db2.gz MZCBPAORFDIETC-NWDGAFQWSA-N 0 1 290.429 0.610 10 0 CCAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O ZINC000175438061 351129917 /nfs/dbraw/zinc/12/99/17/351129917.db2.gz 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/nfs/dbraw/zinc/76/46/69/351764669.db2.gz KORYJZNAJUVINK-WDEREUQCSA-N 0 1 257.378 0.700 10 0 CCAEMN CCOC(=O)CNC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000194533419 351873129 /nfs/dbraw/zinc/87/31/29/351873129.db2.gz BLRVGJVBXKHGTH-HUUCEWRRSA-N 0 1 292.379 0.775 10 0 CCAEMN COc1cc(C)nc(CNC[C@@H]2CN(C)CCO2)c1 ZINC000214077977 351932461 /nfs/dbraw/zinc/93/24/61/351932461.db2.gz DILLATSOWMKQBI-CQSZACIVSA-N 0 1 265.357 0.819 10 0 CCAEMN O=C(CCn1cncn1)N1CCN2CCCC[C@H]2C1 ZINC000195068338 351895531 /nfs/dbraw/zinc/89/55/31/351895531.db2.gz BJXYASXNMCVCBO-LBPRGKRZSA-N 0 1 263.345 0.365 10 0 CCAEMN CCn1cc(C2CCN([C@H](C)C(=O)NC(N)=O)CC2)cn1 ZINC000195500249 351915344 /nfs/dbraw/zinc/91/53/44/351915344.db2.gz OWXHKPBWWQXBRM-SNVBAGLBSA-N 0 1 293.371 0.666 10 0 CCAEMN COc1c(CN[C@@H](C)[C@H](CO)SC)c(C)nn1C ZINC000219037582 351963609 /nfs/dbraw/zinc/96/36/09/351963609.db2.gz BTARAPHTWIDWFS-ONGXEEELSA-N 0 1 273.402 0.939 10 0 CCAEMN CC(C)OC(=O)C[C@@H](O)CNC(=O)C(F)(F)F ZINC000223501492 351987474 /nfs/dbraw/zinc/98/74/74/351987474.db2.gz ZQAFIPDMXNRVTN-ZCFIWIBFSA-N 0 1 257.208 0.368 10 0 CCAEMN CNc1cnc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000230111071 352103992 /nfs/dbraw/zinc/10/39/92/352103992.db2.gz NVKNNOCBAGPYPD-JTQLQIEISA-N 0 1 261.329 0.439 10 0 CCAEMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000245420634 352321085 /nfs/dbraw/zinc/32/10/85/352321085.db2.gz NASKXFWROHBFCH-KGLIPLIRSA-N 0 1 298.431 0.443 10 0 CCAEMN CCCNC(=O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246485894 352369771 /nfs/dbraw/zinc/36/97/71/352369771.db2.gz PAPAPTZAQQFDDX-STQMWFEESA-N 0 1 269.389 0.165 10 0 CCAEMN CCCNC(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246485894 352369776 /nfs/dbraw/zinc/36/97/76/352369776.db2.gz PAPAPTZAQQFDDX-STQMWFEESA-N 0 1 269.389 0.165 10 0 CCAEMN COC(=O)CNC(=O)[C@H](C)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246507653 352370851 /nfs/dbraw/zinc/37/08/51/352370851.db2.gz FHQBDZGAGPTJGR-TUAOUCFPSA-N 0 1 284.356 0.165 10 0 CCAEMN COc1cccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)n1 ZINC000246722285 352380658 /nfs/dbraw/zinc/38/06/58/352380658.db2.gz KLSCPUJCFZNJOC-OLZOCXBDSA-N 0 1 279.384 0.977 10 0 CCAEMN CCCNC(=O)[C@@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246930534 352388760 /nfs/dbraw/zinc/38/87/60/352388760.db2.gz JKHSGMFLORTFEL-MWLCHTKSSA-N 0 1 281.360 0.401 10 0 CCAEMN C[C@H](C(=O)NC(N)=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247682565 352423903 /nfs/dbraw/zinc/42/39/03/352423903.db2.gz RUZVLUWNCQIGJA-MXWKQRLJSA-N 0 1 279.344 0.349 10 0 CCAEMN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)NC[C@H]1CCCO1 ZINC000247981685 352429240 /nfs/dbraw/zinc/42/92/40/352429240.db2.gz MYMAIBGBCFZSKN-SQWLQELKSA-N 0 1 296.411 0.909 10 0 CCAEMN CC[C@@H]1CN(C(=O)[C@H]2CCOC2)CCN1CCOC ZINC000247274705 352407143 /nfs/dbraw/zinc/40/71/43/352407143.db2.gz ZVSCAWFLEIFZQR-QWHCGFSZSA-N 0 1 270.373 0.592 10 0 CCAEMN CCCOC(=O)[C@@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000247254571 352407318 /nfs/dbraw/zinc/40/73/18/352407318.db2.gz ZESNQYXKLXGPKI-MWLCHTKSSA-N 0 1 282.344 0.828 10 0 CCAEMN Cc1nc([C@@H]2CN(CC(=O)OC(C)(C)C)CCO2)n[nH]1 ZINC000173665920 137666435 /nfs/dbraw/zinc/66/64/35/137666435.db2.gz PVRCAJQOCJSPRZ-JTQLQIEISA-N 0 1 282.344 0.828 10 0 CCAEMN C[C@@H]1CN(C(=O)CN2CC[C@H](C)[C@H](O)C2)C[C@@H](C)O1 ZINC000299904317 354055829 /nfs/dbraw/zinc/05/58/29/354055829.db2.gz KSVYVRVECFBRSK-UMSGYPCISA-N 0 1 270.373 0.325 10 0 CCAEMN NC(=O)[C@]1(F)CN(Cc2ccccc2)CC12COC2 ZINC000306291753 354174443 /nfs/dbraw/zinc/17/44/43/354174443.db2.gz UDPIMJPRZYUPMZ-CQSZACIVSA-N 0 1 264.300 0.712 10 0 CCAEMN O=C1[C@H](N2CCC[C@@H](n3cncn3)C2)CCN1C1CC1 ZINC000328688438 202012455 /nfs/dbraw/zinc/01/24/55/202012455.db2.gz ZXYGNRWBIQLLFN-CHWSQXEVSA-N 0 1 275.356 0.678 10 0 CCAEMN O=C1[C@H](N2CCC[C@@H](c3nnc[nH]3)C2)CCN1C1CC1 ZINC000328688284 202012774 /nfs/dbraw/zinc/01/27/74/202012774.db2.gz ZTVPXFHIGHZNMR-ZYHUDNBSSA-N 0 1 275.356 0.747 10 0 CCAEMN CN1C[C@H](CNC(=O)c2[nH]nc3c2CCCC3)CC1=O ZINC000619005907 366151531 /nfs/dbraw/zinc/15/15/31/366151531.db2.gz AGWTWIQLXBVSFV-VIFPVBQESA-N 0 1 276.340 0.497 10 0 CCAEMN CCC[N@H+](CC(=O)[O-])[C@@H](C)C(=O)N1CCOCC1 ZINC000038022019 283114451 /nfs/dbraw/zinc/11/44/51/283114451.db2.gz ZQJDSIZKAUWFTE-JTQLQIEISA-N 0 1 258.318 0.030 10 0 CCAEMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)C(=O)N1CCOCC1 ZINC000038022019 283114453 /nfs/dbraw/zinc/11/44/53/283114453.db2.gz ZQJDSIZKAUWFTE-JTQLQIEISA-N 0 1 258.318 0.030 10 0 CCAEMN Cc1noc([C@@H]2CN(C(=O)[C@H]3CCCN3C)CCN2C)n1 ZINC000328981701 202139026 /nfs/dbraw/zinc/13/90/26/202139026.db2.gz YHFMXKDTERGCGT-NEPJUHHUSA-N 0 1 293.371 0.287 10 0 CCAEMN C[C@H]1C[C@H](O)CN(CC(=O)NC(=O)NC2CCCC2)C1 ZINC000401502337 357800227 /nfs/dbraw/zinc/80/02/27/357800227.db2.gz PQZRPLLPJKVWQN-JQWIXIFHSA-N 0 1 283.372 0.458 10 0 CCAEMN C[C@@H](CN(C)C(=O)[C@@H](N)CCS(C)(=O)=O)C(C)(C)C ZINC000399511106 357784578 /nfs/dbraw/zinc/78/45/78/357784578.db2.gz LKTUDEDHYKNLCU-QWRGUYRKSA-N 0 1 292.445 0.889 10 0 CCAEMN C[C@H](CN(C)C(=O)[C@H](N)CCS(C)(=O)=O)C(C)(C)C ZINC000399511104 357784593 /nfs/dbraw/zinc/78/45/93/357784593.db2.gz LKTUDEDHYKNLCU-GHMZBOCLSA-N 0 1 292.445 0.889 10 0 CCAEMN C[C@H]1CN(C(=O)c2cc(=O)[nH]c(N(C)C)n2)[C@@H](C)CN1C ZINC000407987673 357852474 /nfs/dbraw/zinc/85/24/74/357852474.db2.gz DXBZUBZTVUMQHH-UWVGGRQHSA-N 0 1 293.371 0.413 10 0 CCAEMN Cc1nc([C@@H]2CN(CC3(O)CCC3)CCO2)n[nH]1 ZINC000407949084 357830997 /nfs/dbraw/zinc/83/09/97/357830997.db2.gz LWKBFSJUBKWFHM-JTQLQIEISA-N 0 1 252.318 0.401 10 0 CCAEMN Cc1nnc([C@@H]2CN(C[C@@H](O)C(C)(C)C)CCO2)[nH]1 ZINC000407950712 357834636 /nfs/dbraw/zinc/83/46/36/357834636.db2.gz GOKPYIOCHAOJQW-WDEREUQCSA-N 0 1 268.361 0.893 10 0 CCAEMN CC[C@H](C)CS(=O)(=O)N1CCOC[C@@H]1c1nnc[nH]1 ZINC000408015964 357868467 /nfs/dbraw/zinc/86/84/67/357868467.db2.gz GQQCPWFMEHWRPB-VHSXEESVSA-N 0 1 288.373 0.554 10 0 CCAEMN CO[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CCC[C@H]2O)N(C)C1 ZINC000408045318 357885104 /nfs/dbraw/zinc/88/51/04/357885104.db2.gz YYGZAJUYYAQWOU-MROQNXINSA-N 0 1 270.373 0.325 10 0 CCAEMN CC(C)n1cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cn1 ZINC000408232383 357983491 /nfs/dbraw/zinc/98/34/91/357983491.db2.gz NXWYMGYBWUEVBM-LLVKDONJSA-N 0 1 286.401 0.789 10 0 CCAEMN Cc1ccncc1S(=O)(=O)N1CCN2CCC[C@@H]2C1 ZINC000408378538 358062306 /nfs/dbraw/zinc/06/23/06/358062306.db2.gz FPGSOQQQVGIXQS-GFCCVEGCSA-N 0 1 281.381 0.859 10 0 CCAEMN CN(C)C(=O)CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000408400354 358073851 /nfs/dbraw/zinc/07/38/51/358073851.db2.gz RFVCFDPICGISDC-UHFFFAOYSA-N 0 1 264.329 0.594 10 0 CCAEMN CCN(C)S(=O)(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000408433653 358091926 /nfs/dbraw/zinc/09/19/26/358091926.db2.gz NEOWBGAMHSTDIS-VIFPVBQESA-N 0 1 273.362 0.181 10 0 CCAEMN CN1CCN(CC2=N[C@H](c3ccccc3)NO2)CC1 ZINC000584652625 359186621 /nfs/dbraw/zinc/18/66/21/359186621.db2.gz XTHWWVUMSBPEHR-AWEZNQCLSA-N 0 1 260.341 0.866 10 0 CCAEMN C[C@H]1CN(C(=O)c2cnn3ccncc23)[C@@H](C)CN1C ZINC000329367515 202301758 /nfs/dbraw/zinc/30/17/58/202301758.db2.gz HKPXDLDWNURYBV-QWRGUYRKSA-N 0 1 273.340 0.894 10 0 CCAEMN C[NH2+]CCCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000178798175 189146741 /nfs/dbraw/zinc/14/67/41/189146741.db2.gz VIACUNIQVZDJRD-UHFFFAOYSA-N 0 1 291.355 0.255 10 0 CCAEMN C[C@@H](c1cnn(C)c1)N(C)CCN1C(=O)NC(C)(C)C1=O ZINC000180384574 189252763 /nfs/dbraw/zinc/25/27/63/189252763.db2.gz YEWPOFNFZYYXMB-JTQLQIEISA-N 0 1 293.371 0.743 10 0 CCAEMN CNC(=O)CN1CCC(CN(C)c2ncc(C)cn2)CC1 ZINC000301847106 201230275 /nfs/dbraw/zinc/23/02/75/201230275.db2.gz URUUGCSXRDJQFO-UHFFFAOYSA-N 0 1 291.399 0.679 10 0 CCAEMN NS(=O)(=O)N1C[C@@H](c2c[nH]nn2)Cc2ccccc21 ZINC000616674474 365419759 /nfs/dbraw/zinc/41/97/59/365419759.db2.gz HPLLBWFMZBNVHD-VIFPVBQESA-N 0 1 279.325 0.155 10 0 CCAEMN O=C([O-])c1cccc([C@@H]2C[N@H+](CCO)CCN2)c1 ZINC000616634227 365393103 /nfs/dbraw/zinc/39/31/03/365393103.db2.gz NQSIZSRTHYFGQY-LBPRGKRZSA-N 0 1 250.298 0.323 10 0 CCAEMN O=C([O-])c1cccc([C@@H]2C[N@@H+](CCO)CCN2)c1 ZINC000616634227 365393108 /nfs/dbraw/zinc/39/31/08/365393108.db2.gz NQSIZSRTHYFGQY-LBPRGKRZSA-N 0 1 250.298 0.323 10 0 CCAEMN CS(=O)(=O)N1c2ccccc2NC[C@@H]1c1c[nH]nn1 ZINC000616692764 365428040 /nfs/dbraw/zinc/42/80/40/365428040.db2.gz ZGJYLBLPMXSNIS-LLVKDONJSA-N 0 1 279.325 0.738 10 0 CCAEMN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000408095261 284079928 /nfs/dbraw/zinc/07/99/28/284079928.db2.gz XQZAISKEFPLBJP-LOWDOPEQSA-N 0 1 296.367 0.117 10 0 CCAEMN C[S@@](=O)c1nc2[nH]nc(Br)c2c(=O)[nH]1 ZINC000025970308 291451087 /nfs/dbraw/zinc/45/10/87/291451087.db2.gz DBCQRXCSDFPDIW-AWEZNQCLSA-N 0 1 277.103 0.146 10 0 CCAEMN C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCNC[C@H]1C ZINC000333119717 205047400 /nfs/dbraw/zinc/04/74/00/205047400.db2.gz AIILNDDSCISKSN-UTUOFQBUSA-N 0 1 271.361 0.184 10 0 CCAEMN COC[C@@]1(C(=O)[O-])CCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000656758078 412849336 /nfs/dbraw/zinc/84/93/36/412849336.db2.gz YVPXKZMZWXXBCK-MWLCHTKSSA-N 0 1 279.283 0.976 10 0 CCAEMN O=C(CN1CC2(CCC2)[C@H]2COC[C@H]21)N1CCC1 ZINC000334796957 207092590 /nfs/dbraw/zinc/09/25/90/207092590.db2.gz OMUTVUFTCHLZTA-NWDGAFQWSA-N 0 1 250.342 0.720 10 0 CCAEMN O=S(=O)(CCN1CCCC1)N1C[C@@H](F)[C@@H](F)C1 ZINC000334811996 207118112 /nfs/dbraw/zinc/11/81/12/207118112.db2.gz UAYYUPYCELDIEZ-AOOOYVTPSA-N 0 1 268.329 0.404 10 0 CCAEMN Cc1nnc(SCC(=O)N2CCNCC2)s1 ZINC000043403147 184557535 /nfs/dbraw/zinc/55/75/35/184557535.db2.gz LMYHMBYLLKTELN-UHFFFAOYSA-N 0 1 258.372 0.370 10 0 CCAEMN Cc1nnc(CN2CCN(C[C@H](C)O)[C@H](C)C2)o1 ZINC000247232417 285045571 /nfs/dbraw/zinc/04/55/71/285045571.db2.gz RICOHCHLMRIRKV-ZJUUUORDSA-N 0 1 254.334 0.265 10 0 CCAEMN C[C@H](O)CN1CCN(C(=O)NC[C@]2(C)CCCO2)C[C@@H]1C ZINC000248600278 285071058 /nfs/dbraw/zinc/07/10/58/285071058.db2.gz IYJYCKLMRYGTOM-YDHLFZDLSA-N 0 1 299.415 0.652 10 0 CCAEMN O=C1NCCCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000156687867 296365267 /nfs/dbraw/zinc/36/52/67/296365267.db2.gz KFYPKBFVRJGZPO-ZDUSSCGKSA-N 0 1 251.374 0.683 10 0 CCAEMN CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](c3nnn[n-]3)C[C@H]2C1 ZINC000012506806 388786021 /nfs/dbraw/zinc/78/60/21/388786021.db2.gz KPJGJAMQQDPGGT-UWVGGRQHSA-N 0 1 294.359 0.608 10 0 CCAEMN CC(C)(C)OC(=O)N1CCN2C[C@@H](c3nn[nH]n3)C[C@H]2C1 ZINC000012506806 388786031 /nfs/dbraw/zinc/78/60/31/388786031.db2.gz KPJGJAMQQDPGGT-UWVGGRQHSA-N 0 1 294.359 0.608 10 0 CCAEMN O=C1CCCN1C[C@H](O)CN[C@H](CCO)c1ccco1 ZINC000185110752 388786892 /nfs/dbraw/zinc/78/68/92/388786892.db2.gz SZBFREIXNIHZSD-VXGBXAGGSA-N 0 1 282.340 0.276 10 0 CCAEMN COc1c(C)cnc(CN2C[C@H](O)C[C@@H]2CO)c1C ZINC000185142201 388788525 /nfs/dbraw/zinc/78/85/25/388788525.db2.gz OHSAPIDUXUJFFM-VXGBXAGGSA-N 0 1 266.341 0.635 10 0 CCAEMN CCO[C@H]1C[C@H](NCc2ncnn2C)C12CCOCC2 ZINC000186366582 388834149 /nfs/dbraw/zinc/83/41/49/388834149.db2.gz QYICHDMARXDRHE-RYUDHWBXSA-N 0 1 280.372 0.879 10 0 CCAEMN C[C@H]1CN(C(=O)N2CCOCC2)CCN1CC(C)(C)O ZINC000186939670 388860163 /nfs/dbraw/zinc/86/01/63/388860163.db2.gz DMRDZYRMHJVGPK-LBPRGKRZSA-N 0 1 285.388 0.216 10 0 CCAEMN O=C(CNCCOCCO)Nc1cccc(Cl)c1 ZINC000047948629 388884845 /nfs/dbraw/zinc/88/48/45/388884845.db2.gz KUFMRTDNYSXEAU-UHFFFAOYSA-N 0 1 272.732 0.877 10 0 CCAEMN Cc1nnc(SCC(=O)N2[C@H](C)COC[C@H]2C)[nH]1 ZINC000073923198 388980584 /nfs/dbraw/zinc/98/05/84/388980584.db2.gz GYFODSNVSJPZJC-HTQZYQBOSA-N 0 1 270.358 0.841 10 0 CCAEMN Cc1n[nH]c(SCC(=O)N2[C@H](C)COC[C@H]2C)n1 ZINC000073923198 388980588 /nfs/dbraw/zinc/98/05/88/388980588.db2.gz GYFODSNVSJPZJC-HTQZYQBOSA-N 0 1 270.358 0.841 10 0 CCAEMN CC[C@H]1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)CCS1 ZINC000076071990 388985550 /nfs/dbraw/zinc/98/55/50/388985550.db2.gz IJLPNWGRVAYPMR-RYUDHWBXSA-N 0 1 299.440 0.538 10 0 CCAEMN Cn1cc([C@H]2CCN(c3ccncc3C(N)=O)C2)cn1 ZINC000302219272 389065585 /nfs/dbraw/zinc/06/55/85/389065585.db2.gz LOTWGXMBXWXPGP-JTQLQIEISA-N 0 1 271.324 0.908 10 0 CCAEMN C[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)C1 ZINC000103287290 389077211 /nfs/dbraw/zinc/07/72/11/389077211.db2.gz UGUZCRQRNSMDOC-QWHCGFSZSA-N 0 1 281.400 0.975 10 0 CCAEMN CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ncc[n-]2)C1 ZINC000310271399 389096125 /nfs/dbraw/zinc/09/61/25/389096125.db2.gz NKMJHGDFVIRSOF-SECBINFHSA-N 0 1 258.347 0.172 10 0 CCAEMN C[C@@H](NS(=O)(=O)C[C@H]1CNCCO1)C1CCCC1 ZINC000310932729 389100215 /nfs/dbraw/zinc/10/02/15/389100215.db2.gz JBLZTMABUOGAAY-ZYHUDNBSSA-N 0 1 276.402 0.473 10 0 CCAEMN CN(C)[C@H](CNC(=O)[C@H]1CNC(=O)C1)c1ccc(F)cc1 ZINC000194875494 389107986 /nfs/dbraw/zinc/10/79/86/389107986.db2.gz NFUHMYAEJMHZCS-DGCLKSJQSA-N 0 1 293.342 0.681 10 0 CCAEMN C[C@@H](O)CN1CCN(C(=O)Nc2ccnn2C)C[C@H]1C ZINC000124930473 389163519 /nfs/dbraw/zinc/16/35/19/389163519.db2.gz XZASBKGKLYHARA-GHMZBOCLSA-N 0 1 281.360 0.339 10 0 CCAEMN CC[C@H](C(N)=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125256963 389164666 /nfs/dbraw/zinc/16/46/66/389164666.db2.gz ASJNMDIZYLLQSC-RAIGVLPGSA-N 0 1 279.384 0.726 10 0 CCAEMN CC(C)N1CC[C@H](N2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000245476390 389209987 /nfs/dbraw/zinc/20/99/87/389209987.db2.gz STAQYQGZQALTHJ-KGLIPLIRSA-N 0 1 281.400 0.402 10 0 CCAEMN CC(C)N1CC[C@H](N2CCN(C[C@H](C)O)[C@@H](C)C2)C1=O ZINC000245477922 389210190 /nfs/dbraw/zinc/21/01/90/389210190.db2.gz UXEUAHROZHSPBL-IHRRRGAJSA-N 0 1 283.416 0.383 10 0 CCAEMN C[C@H](NC(=O)CN1CC[C@H]2OCCC[C@H]2C1)C(=O)N(C)C ZINC000246633567 389230761 /nfs/dbraw/zinc/23/07/61/389230761.db2.gz KLOPEVCGPHFZLS-RWMBFGLXSA-N 0 1 297.399 0.080 10 0 CCAEMN C[C@H](NC(=O)CN1CC[C@H]2OCCC[C@@H]2C1)C(=O)N(C)C ZINC000152855818 389293886 /nfs/dbraw/zinc/29/38/86/389293886.db2.gz KLOPEVCGPHFZLS-YNEHKIRRSA-N 0 1 297.399 0.080 10 0 CCAEMN CNC(=O)c1cccnc1N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332767435 389368569 /nfs/dbraw/zinc/36/85/69/389368569.db2.gz FJHNRKNUINPQTA-CHWSQXEVSA-N 0 1 290.367 0.351 10 0 CCAEMN C[C@H]1CNCCN1C(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000334922821 389509001 /nfs/dbraw/zinc/50/90/01/389509001.db2.gz XUMQERQVTWUVBH-VHSXEESVSA-N 0 1 268.361 0.047 10 0 CCAEMN CCCc1nc(CN2CCN(C[C@@H](O)CC)CC2)no1 ZINC000174077288 389513908 /nfs/dbraw/zinc/51/39/08/389513908.db2.gz MTWGWIULLKIXGJ-LBPRGKRZSA-N 0 1 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ZINC000616664434 365416838 /nfs/dbraw/zinc/41/68/38/365416838.db2.gz SJOAJAOGYHBYGB-LBPRGKRZSA-N 0 1 288.388 0.842 10 0 CCAEMN N[C@@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 ZINC000616650266 365408364 /nfs/dbraw/zinc/40/83/64/365408364.db2.gz DAAVFQSRYJNMQO-NSHDSACASA-N 0 1 256.327 0.382 10 0 CCAEMN NS(=O)(=O)N1CCN[C@@H](c2cccc3ncccc32)C1 ZINC000616655094 365411653 /nfs/dbraw/zinc/41/16/53/365411653.db2.gz UHIVGZSNSHUSCZ-CYBMUJFWSA-N 0 1 292.364 0.385 10 0 CCAEMN NS(=O)(=O)N1CCN[C@H](c2cccc3ccncc32)C1 ZINC000616600697 365380646 /nfs/dbraw/zinc/38/06/46/365380646.db2.gz ARWRUYYUDGHRSF-ZDUSSCGKSA-N 0 1 292.364 0.385 10 0 CCAEMN Cn1ncc(Br)c1CN[C@H]1CCOC[C@@H]1O ZINC000623766594 367652735 /nfs/dbraw/zinc/65/27/35/367652735.db2.gz ISGAGOZFQNVYOJ-WPRPVWTQSA-N 0 1 290.161 0.422 10 0 CCAEMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCO[C@H]2CCC[C@H]21 ZINC000329148959 296134131 /nfs/dbraw/zinc/13/41/31/296134131.db2.gz YOVDAIHYPAXWAE-BIMULSAOSA-N 0 1 276.340 0.690 10 0 CCAEMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCO[C@H]2CCC[C@H]21 ZINC000329148959 296134134 /nfs/dbraw/zinc/13/41/34/296134134.db2.gz YOVDAIHYPAXWAE-BIMULSAOSA-N 0 1 276.340 0.690 10 0 CCAEMN Cn1ccc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1 ZINC000628376201 369253840 /nfs/dbraw/zinc/25/38/40/369253840.db2.gz KAISWLROPFGGFM-ZIAGYGMSSA-N 0 1 276.340 0.383 10 0 CCAEMN CN1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333206120 205118396 /nfs/dbraw/zinc/11/83/96/205118396.db2.gz APWHZQHIVHSZGG-RDBSUJKOSA-N 0 1 293.411 0.988 10 0 CCAEMN Cc1nnc(SCC(=O)N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)[nH]1 ZINC000333246630 205150265 /nfs/dbraw/zinc/15/02/65/205150265.db2.gz FWUHLVCHEWKOMR-GARJFASQSA-N 0 1 296.396 0.825 10 0 CCAEMN Cc1n[nH]c(SCC(=O)N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)n1 ZINC000333246630 205150267 /nfs/dbraw/zinc/15/02/67/205150267.db2.gz FWUHLVCHEWKOMR-GARJFASQSA-N 0 1 296.396 0.825 10 0 CCAEMN CCN1CCC[C@H](NS(=O)(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC000333386201 205276088 /nfs/dbraw/zinc/27/60/88/205276088.db2.gz GGCYEOQWXFGUFX-AGIUHOORSA-N 0 1 290.429 0.958 10 0 CCAEMN CCO[C@@H]1C[C@H](NC(=O)N2CCNC[C@@H]2C)[C@@]12CCCO2 ZINC000333711524 205626277 /nfs/dbraw/zinc/62/62/77/205626277.db2.gz FNAJCMHTYAASAF-XPCVCDNBSA-N 0 1 297.399 0.716 10 0 CCAEMN C[C@]1(C(=O)N2CCO[C@H]3CCCC[C@H]32)CNCCO1 ZINC000637933625 374486212 /nfs/dbraw/zinc/48/62/12/374486212.db2.gz OOYTZYIXQWKBKN-MBNYWOFBSA-N 0 1 268.357 0.535 10 0 CCAEMN CN(C)/C=C1/CN(C(=O)OC(C)(C)C)C[C@H]1NN ZINC000261507013 190039771 /nfs/dbraw/zinc/03/97/71/190039771.db2.gz DLOSYSCMXXNWQY-ABRRARGCSA-N 0 1 256.350 0.515 10 0 CCAEMN COC[C@@]1(C(=O)[O-])CCC[N@H+]1CCc1ccnn1C ZINC000656758025 412848659 /nfs/dbraw/zinc/84/86/59/412848659.db2.gz YRUOXIMLQHNBAV-CYBMUJFWSA-N 0 1 267.329 0.528 10 0 CCAEMN COC1CCC(NC(=O)N2CCNC[C@H]2C)CC1 ZINC000334925591 284760893 /nfs/dbraw/zinc/76/08/93/284760893.db2.gz MLNKPWBBOLYJGB-VOMCLLRMSA-N 0 1 255.362 0.947 10 0 CCAEMN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C)O2)CCN1C[C@@H](C)O ZINC000246102713 285004243 /nfs/dbraw/zinc/00/42/43/285004243.db2.gz WQBMQVGKKVWOJW-SYQHCUMBSA-N 0 1 284.400 0.858 10 0 CCAEMN CC[C@@H]1CN(C(=O)[C@H]2CCCOC2)CCN1C[C@H](C)O ZINC000246944052 285038050 /nfs/dbraw/zinc/03/80/50/285038050.db2.gz RWCWFXNMVIUWJC-MELADBBJSA-N 0 1 284.400 0.717 10 0 CCAEMN CC[C@@H]1CN(C[C@H](O)Cn2cccn2)CC[N@H+]1C[C@H](C)O ZINC000247034323 285040880 /nfs/dbraw/zinc/04/08/80/285040880.db2.gz DIAHUMUYIMANAZ-ZNMIVQPWSA-N 0 1 296.415 0.021 10 0 CCAEMN Cc1nnc([C@H](C)N2CCN(C[C@H](C)O)[C@H](C)C2)o1 ZINC000247233275 285045630 /nfs/dbraw/zinc/04/56/30/285045630.db2.gz RMOWOXHPIFTVQB-VWYCJHECSA-N 0 1 268.361 0.826 10 0 CCAEMN COCCN1C[C@H]2CN(C3CCC3)CCN2C1=O ZINC000077266933 285063550 /nfs/dbraw/zinc/06/35/50/285063550.db2.gz ZPAMKJACTKJOQS-GFCCVEGCSA-N 0 1 253.346 0.607 10 0 biogenic CCAEMN CC(C)(C)OC(=O)N1CC[N@H+]2C[C@H](c3nnn[n-]3)C[C@H]2C1 ZINC000012506809 388786179 /nfs/dbraw/zinc/78/61/79/388786179.db2.gz KPJGJAMQQDPGGT-ZJUUUORDSA-N 0 1 294.359 0.608 10 0 CCAEMN CC(C)(C)OC(=O)N1CCN2C[C@H](c3nn[nH]n3)C[C@H]2C1 ZINC000012506809 388786194 /nfs/dbraw/zinc/78/61/94/388786194.db2.gz KPJGJAMQQDPGGT-ZJUUUORDSA-N 0 1 294.359 0.608 10 0 CCAEMN Cn1ncc2c1ncnc2N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000285246712 388790130 /nfs/dbraw/zinc/79/01/30/388790130.db2.gz YVCWEECEAYGVOW-RYUDHWBXSA-N 0 1 288.355 0.273 10 0 CCAEMN CCOCCN1CCN([C@@H](C)c2nnnn2C)C[C@@H]1CC ZINC000189162021 388950492 /nfs/dbraw/zinc/95/04/92/388950492.db2.gz PBNPMLLSEHPVEK-STQMWFEESA-N 0 1 296.419 0.704 10 0 CCAEMN CCN1CN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1=O ZINC000189996350 388980909 /nfs/dbraw/zinc/98/09/09/388980909.db2.gz ZGADWUZYZOKCHT-NWDGAFQWSA-N 0 1 282.388 0.546 10 0 CCAEMN CO[C@@H]1C[C@@H](CO)N(C[C@H](O)CC(F)(F)F)C1 ZINC000307992310 389092216 /nfs/dbraw/zinc/09/22/16/389092216.db2.gz XWCPCBAXOOEWSH-DJLDLDEBSA-N 0 1 257.252 0.381 10 0 CCAEMN CC(=O)N[C@H]1CCCN(c2ccncc2C(N)=O)C1 ZINC000302026568 389062581 /nfs/dbraw/zinc/06/25/81/389062581.db2.gz LHBCKSMHWLUGRJ-JTQLQIEISA-N 0 1 262.313 0.285 10 0 CCAEMN C[C@@H]1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@@H]1O ZINC000305765454 389089076 /nfs/dbraw/zinc/08/90/76/389089076.db2.gz QSWDLEBONZHKQH-CBBWQLFWSA-N 0 1 296.411 0.859 10 0 CCAEMN c1nc2n(n1)C[C@H](Nc1ncnc3[nH]cnc31)CC2 ZINC000108948156 389098533 /nfs/dbraw/zinc/09/85/33/389098533.db2.gz WICXPPPUQNIIMH-SSDOTTSWSA-N 0 1 256.273 0.371 10 0 CCAEMN C[C@H](NS(=O)(=O)C[C@H]1CNCCO1)C1CCCC1 ZINC000310932724 389099903 /nfs/dbraw/zinc/09/99/03/389099903.db2.gz JBLZTMABUOGAAY-CMPLNLGQSA-N 0 1 276.402 0.473 10 0 CCAEMN CN(C)CC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111620305 389109997 /nfs/dbraw/zinc/10/99/97/389109997.db2.gz DFYJZDODVSAVMW-VIFPVBQESA-N 0 1 255.343 0.605 10 0 CCAEMN Cc1cnn(CCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000195336777 389124465 /nfs/dbraw/zinc/12/44/65/389124465.db2.gz ADWJXPMNIXWKQG-CYBMUJFWSA-N 0 1 262.357 0.888 10 0 CCAEMN CCOCCN1CCN([C@H]2CCNC2=O)C[C@H]1CC ZINC000245675782 389216033 /nfs/dbraw/zinc/21/60/33/389216033.db2.gz HELIUNRAAKXNPI-OLZOCXBDSA-N 0 1 269.389 0.308 10 0 CCAEMN C[C@@H](NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)[C@H]1CCCO1 ZINC000245833279 389218632 /nfs/dbraw/zinc/21/86/32/389218632.db2.gz AMTOSVDIIUFXRW-IGQOVBAYSA-N 0 1 299.415 0.650 10 0 CCAEMN COc1c(CN[C@H]2C[C@H](O)C2(C)C)c(C)nn1C ZINC000132216777 389222274 /nfs/dbraw/zinc/22/22/74/389222274.db2.gz UREOTAXYWRELQJ-QWRGUYRKSA-N 0 1 253.346 0.986 10 0 CCAEMN Cc1nc(CN2CCN(C(=O)[C@H]3CC[C@H](C)O3)CC2)n[nH]1 ZINC000155287347 389318667 /nfs/dbraw/zinc/31/86/67/389318667.db2.gz PCWODQNCJUMUFM-CMPLNLGQSA-N 0 1 293.371 0.325 10 0 CCAEMN CCOC1CC(CN2CCOC[C@H]2c2nnc[nH]2)C1 ZINC000367143728 389324297 /nfs/dbraw/zinc/32/42/97/389324297.db2.gz LIYGWBJTFDKJOJ-MCIGGMRASA-N 0 1 266.345 0.993 10 0 CCAEMN O=C1CCC(=O)N1CCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152215520 389285599 /nfs/dbraw/zinc/28/55/99/389285599.db2.gz ZHQNNANQSBOHGR-CYBMUJFWSA-N 0 1 289.335 0.684 10 0 CCAEMN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[S@](C)=O ZINC000152417428 389290604 /nfs/dbraw/zinc/29/06/04/389290604.db2.gz QCNXESCPZSLEJH-FTLABTOESA-N 0 1 272.414 0.840 10 0 CCAEMN Cc1n[nH]c(C(=O)N[C@H]2CCCn3ncnc32)c1C ZINC000408414811 389347681 /nfs/dbraw/zinc/34/76/81/389347681.db2.gz HUXZHDNBQLKFOL-VIFPVBQESA-N 0 1 260.301 0.883 10 0 CCAEMN CN1CCC[C@H]1C(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000334239325 389461739 /nfs/dbraw/zinc/46/17/39/389461739.db2.gz NMIXFWQGRCXQRZ-UWVGGRQHSA-N 0 1 253.346 0.254 10 0 CCAEMN Cc1cnc(C)c(N2CCN(C[C@H](C)O)[C@@H](C)C2)n1 ZINC000273856286 389477066 /nfs/dbraw/zinc/47/70/66/389477066.db2.gz LHMYQPFQUAZXOP-RYUDHWBXSA-N 0 1 264.373 0.985 10 0 CCAEMN CC[N@@H+]1CC[C@H](NC(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000334805048 389505665 /nfs/dbraw/zinc/50/56/65/389505665.db2.gz REEIOCPFHJRDFG-KBPBESRZSA-N 0 1 280.416 0.960 10 0 CCAEMN C[C@@H]1CNCCN1C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000334902696 389507921 /nfs/dbraw/zinc/50/79/21/389507921.db2.gz XDZUGJLNCWGUQP-ZYHUDNBSSA-N 0 1 277.372 0.801 10 0 CCAEMN CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnn(C)c2C)C1 ZINC000176593356 389560469 /nfs/dbraw/zinc/56/04/69/389560469.db2.gz DUYCJWJOSGSWRO-NSHDSACASA-N 0 1 293.371 0.268 10 0 CCAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cnn(C)c2C)C1 ZINC000176593356 389560472 /nfs/dbraw/zinc/56/04/72/389560472.db2.gz DUYCJWJOSGSWRO-NSHDSACASA-N 0 1 293.371 0.268 10 0 CCAEMN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@@H](CO)c1ccccc1 ZINC000182903961 389720332 /nfs/dbraw/zinc/72/03/32/389720332.db2.gz AYPGYVWVVHYYMM-YPMHNXCESA-N 0 1 293.367 0.932 10 0 CCAEMN C[N@H+]1CCC[C@@H]2CN(C(=O)CC[S@](C)=O)CC[C@@H]21 ZINC000179677520 389661299 /nfs/dbraw/zinc/66/12/99/389661299.db2.gz NNCZLPNQNVVXQD-SOZUMNATSA-N 0 1 272.414 0.698 10 0 CCAEMN CO[C@@H]1C[C@@H](CO)N(CC(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000375419971 389675354 /nfs/dbraw/zinc/67/53/54/389675354.db2.gz NWERQAMIDSKVFK-YIYPIFLZSA-N 0 1 284.400 0.858 10 0 CCAEMN C[C@H]1C[C@H](O)CN(CCn2nc3ccccn3c2=O)C1 ZINC000401602094 389799742 /nfs/dbraw/zinc/79/97/42/389799742.db2.gz BQACRFPUDLKOCW-RYUDHWBXSA-N 0 1 276.340 0.199 10 0 CCAEMN COC[C@]1(C(=O)[O-])CCC[N@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000643878341 390592013 /nfs/dbraw/zinc/59/20/13/390592013.db2.gz QHVMRWRRQCHTFV-PWSUYJOCSA-N 0 1 293.385 0.233 10 0 CCAEMN CC1(C)C[N@@H+]([C@H]2CCCCN(CC(=O)[O-])C2=O)CCO1 ZINC000643872699 390589473 /nfs/dbraw/zinc/58/94/73/390589473.db2.gz IQEXQSJGBHIUKM-NSHDSACASA-N 0 1 284.356 0.563 10 0 CCAEMN CC1(C)C[N@H+]([C@H]2CCCCN(CC(=O)[O-])C2=O)CCO1 ZINC000643872699 390589476 /nfs/dbraw/zinc/58/94/76/390589476.db2.gz IQEXQSJGBHIUKM-NSHDSACASA-N 0 1 284.356 0.563 10 0 CCAEMN CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@]1(COC)C(=O)[O-] ZINC000643879780 390593460 /nfs/dbraw/zinc/59/34/60/390593460.db2.gz ZUNMLYHFZUDPLV-CQSZACIVSA-N 0 1 286.372 0.857 10 0 CCAEMN CCC(C)(C)NC(=O)C[N@H+]1CCC[C@@]1(COC)C(=O)[O-] ZINC000643879780 390593464 /nfs/dbraw/zinc/59/34/64/390593464.db2.gz ZUNMLYHFZUDPLV-CQSZACIVSA-N 0 1 286.372 0.857 10 0 CCAEMN CCCCOC(=O)[C@H]1CNCCN1c1ncccc1N ZINC000575448704 390841001 /nfs/dbraw/zinc/84/10/01/390841001.db2.gz FDEGJECCPHZTPP-GFCCVEGCSA-N 0 1 278.356 0.785 10 0 CCAEMN C[C@@H](O)CN1CCN(C(=O)CC2CCOCC2)C[C@@H]1C ZINC000174304630 533670946 /nfs/dbraw/zinc/67/09/46/533670946.db2.gz RPVIMNXRWFWCHS-QWHCGFSZSA-N 0 1 284.400 0.717 10 0 CCAEMN O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CCC[NH2+]1 ZINC000238104139 131076673 /nfs/dbraw/zinc/07/66/73/131076673.db2.gz VBRZENUOTMJBFO-VIFPVBQESA-N 0 1 258.285 0.557 10 0 CCAEMN CCCCOC[C@H](O)Cn1cc([C@@H](C)NC)nn1 ZINC000386437242 397501438 /nfs/dbraw/zinc/50/14/38/397501438.db2.gz BCRMCOPSJFLLIM-GHMZBOCLSA-N 0 1 256.350 0.736 10 0 CCAEMN CCC1CCC(NS(=O)(=O)C[C@@H]2CNCCO2)CC1 ZINC000388281107 397505221 /nfs/dbraw/zinc/50/52/21/397505221.db2.gz QRNHHQGVJPPHIO-BPCQOVAHSA-N 0 1 290.429 0.863 10 0 CCAEMN C[N@@H+]1C[C@H](c2ccnc(N3CCOCC3)n2)[C@H](C(=O)[O-])C1 ZINC000616576189 397598629 /nfs/dbraw/zinc/59/86/29/397598629.db2.gz UMOCZYVLVPLYHA-WDEREUQCSA-N 0 1 292.339 0.043 10 0 CCAEMN CO[C@H]1C[C@@H](C(=O)N2CCC([C@H](C)O)CC2)N(C)C1 ZINC000408051777 286080982 /nfs/dbraw/zinc/08/09/82/286080982.db2.gz QWZJLWDFTFWDDE-DRZSPHRISA-N 0 1 270.373 0.325 10 0 CCAEMN CCc1ccnc(C(=O)N2CC[C@](O)(c3c[nH]nn3)C2)c1 ZINC000284473174 196063871 /nfs/dbraw/zinc/06/38/71/196063871.db2.gz ALNDFLSRRWVASN-CQSZACIVSA-N 0 1 287.323 0.496 10 0 CCAEMN CNC(=O)NC(=O)[C@H](C)NCc1ccccc1OC ZINC000020302896 171140106 /nfs/dbraw/zinc/14/01/06/171140106.db2.gz SNFHGSIQPXLAHN-VIFPVBQESA-N 0 1 265.313 0.629 10 0 CCAEMN COCCNC(=O)[C@@H](C)NCc1ccccc1OC ZINC000020316207 171146975 /nfs/dbraw/zinc/14/69/75/171146975.db2.gz PNIUSTVNMFHPNY-LLVKDONJSA-N 0 1 266.341 0.936 10 0 CCAEMN CCNC(=O)CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000035139795 172008009 /nfs/dbraw/zinc/00/80/09/172008009.db2.gz WWOFAKJVPCWDHU-SNVBAGLBSA-N 0 1 284.381 0.877 10 0 CCAEMN CC(C)NC(=O)CN[C@@H](C)C(=O)N1CCCCCC1 ZINC000035148332 172010114 /nfs/dbraw/zinc/01/01/14/172010114.db2.gz OXNXWWYPBOLDEX-LBPRGKRZSA-N 0 1 269.389 0.892 10 0 CCAEMN CCC[C@H](C)NC(=O)[C@@H](C)NCC(=O)NC(C)C ZINC000035207170 172051989 /nfs/dbraw/zinc/05/19/89/172051989.db2.gz ZFILHPVFGKERFS-WDEREUQCSA-N 0 1 257.378 0.794 10 0 CCAEMN Cc1cc(C(=O)N2CC[NH+](CCC(=O)[O-])CC2)no1 ZINC000035686906 172353929 /nfs/dbraw/zinc/35/39/29/172353929.db2.gz GHNCTDPLWQWEAY-UHFFFAOYSA-N 0 1 267.285 0.216 10 0 CCAEMN C[N@H+]1CC[C@@H]2OCCN(C(=O)Cc3ccc(O)cc3)[C@H]2C1 ZINC000285702312 196371989 /nfs/dbraw/zinc/37/19/89/196371989.db2.gz IVDYTTADQMTGFI-GJZGRUSLSA-N 0 1 290.363 0.866 10 0 CCAEMN CC[N@@H+](CCC(=O)[O-])Cc1cc(=O)n2ncsc2n1 ZINC000038024635 174007569 /nfs/dbraw/zinc/00/75/69/174007569.db2.gz VOBCFPZUCFDOIS-UHFFFAOYSA-N 0 1 282.325 0.448 10 0 CCAEMN CC[N@@H+](CCC(=O)[O-])[C@H](C)C(=O)NCCCOC ZINC000038025099 174009348 /nfs/dbraw/zinc/00/93/48/174009348.db2.gz IPSWGLSSABUQLT-SNVBAGLBSA-N 0 1 260.334 0.324 10 0 CCAEMN C[C@@H](CNS(=O)(=O)c1ccc(=O)[nH]c1)N1CCCCC1 ZINC000038029593 174020529 /nfs/dbraw/zinc/02/05/29/174020529.db2.gz XIAJUZMOEAQUOV-NSHDSACASA-N 0 1 299.396 0.528 10 0 CCAEMN C[C@H](CN(C)C(=O)N1CCC[N@@H+](C)CC1)C(=O)[O-] ZINC000042707895 174850472 /nfs/dbraw/zinc/85/04/72/174850472.db2.gz KKETWHQUZLDPGS-SNVBAGLBSA-N 0 1 257.334 0.396 10 0 CCAEMN CCCc1nccnc1N(C)CC(=O)N1CCNCC1 ZINC000663270441 415032736 /nfs/dbraw/zinc/03/27/36/415032736.db2.gz LQKCORDYKJNOOX-UHFFFAOYSA-N 0 1 277.372 0.297 10 0 CCAEMN CCCN1CCN(C(=O)[C@H](CC)C(N)=S)CC1 ZINC000044832733 175261812 /nfs/dbraw/zinc/26/18/12/175261812.db2.gz YVTQWISDQBNXNY-SNVBAGLBSA-N 0 1 257.403 0.853 10 0 CCAEMN CC(C)(C)OC(=O)N1CC(NCc2nnc[nH]2)C1 ZINC000071335811 176127491 /nfs/dbraw/zinc/12/74/91/176127491.db2.gz MSZJFIIMFDNLOF-UHFFFAOYSA-N 0 1 253.306 0.514 10 0 CCAEMN CCn1c(CN)nnc1S[C@H](C)C(=O)N1CCCC1 ZINC000071374704 176139738 /nfs/dbraw/zinc/13/97/38/176139738.db2.gz ULGNBLZDGNODPP-SECBINFHSA-N 0 1 283.401 0.860 10 0 CCAEMN COC[C@@H](N)C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000167803031 544728918 /nfs/dbraw/zinc/72/89/18/544728918.db2.gz GIYFXLYGTATGAY-SNVBAGLBSA-N 0 1 263.301 0.189 10 0 CCAEMN CCCCOC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000227902937 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0.934 10 0 CCAEMN CC[C@@](C)(O)CN1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408035908 287393757 /nfs/dbraw/zinc/39/37/57/287393757.db2.gz NOVPAUXFLBWHTR-WCQYABFASA-N 0 1 268.361 0.828 10 0 CCAEMN O=c1[n-]c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)n[nH]1 ZINC000091593790 544528226 /nfs/dbraw/zinc/52/82/26/544528226.db2.gz SSOFBKBPPOLOLD-JOYOIKCWSA-N 0 1 252.318 0.225 10 0 CCAEMN COC(=O)c1ccc(NCC(=O)N2CCNCC2)nc1C ZINC000147670293 544646162 /nfs/dbraw/zinc/64/61/62/544646162.db2.gz QPBZEJZFRNAHDP-UHFFFAOYSA-N 0 1 292.339 0.020 10 0 CCAEMN CNC(=O)[C@H](NCc1cc(=O)n2ccccc2n1)C(C)C ZINC000183652810 544769380 /nfs/dbraw/zinc/76/93/80/544769380.db2.gz RYYLESMZIYVPBH-CQSZACIVSA-N 0 1 288.351 0.555 10 0 CCAEMN CCCc1cc(C(=O)N2CCCNC(=O)[C@H]2C)n[nH]1 ZINC000188939690 544787134 /nfs/dbraw/zinc/78/71/34/544787134.db2.gz YLOVFWPFBPTNDK-SECBINFHSA-N 0 1 264.329 0.713 10 0 CCAEMN Cc1nnc([C@@H]2CN([C@@H]3CCCC[C@H]3O)CCO2)[nH]1 ZINC000245585993 544905755 /nfs/dbraw/zinc/90/57/55/544905755.db2.gz DWZHCPSXLRFSDC-UTUOFQBUSA-N 0 1 266.345 0.790 10 0 CCAEMN CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C(=O)[O-] ZINC000251297108 544926130 /nfs/dbraw/zinc/92/61/30/544926130.db2.gz HJEHVAUWXWZIGN-NWDGAFQWSA-N 0 1 283.372 0.833 10 0 CCAEMN Cn1cc([C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)cn1 ZINC000329748153 545026091 /nfs/dbraw/zinc/02/60/91/545026091.db2.gz SSUDCSGWTITQOQ-SNVBAGLBSA-N 0 1 259.313 0.702 10 0 CCAEMN CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000332881369 545035617 /nfs/dbraw/zinc/03/56/17/545035617.db2.gz XCDCFJDOMNQNEZ-JOYOIKCWSA-N 0 1 291.355 0.187 10 0 CCAEMN CC[C@H](O)CN1CCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000175275584 261218209 /nfs/dbraw/zinc/21/82/09/261218209.db2.gz HNTKEGLAGUENHK-NEPJUHHUSA-N 0 1 298.387 0.666 10 0 CCAEMN CCN(CC(=O)N1CC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000153047596 276081736 /nfs/dbraw/zinc/08/17/36/276081736.db2.gz HWVUEJBZYXMPDF-CQSZACIVSA-N 0 1 281.400 0.404 10 0 CCAEMN CCN1CCCC[C@H]1C(=O)N1C[C@H](O)C2(CC2)C1 ZINC000336566495 276158835 /nfs/dbraw/zinc/15/88/35/276158835.db2.gz QBBAUFDYLJAGMR-RYUDHWBXSA-N 0 1 252.358 0.844 10 0 CCAEMN CCCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246444092 276265408 /nfs/dbraw/zinc/26/54/08/276265408.db2.gz MHTGSEFGEYKICB-HZSPNIEDSA-N 0 1 283.416 0.554 10 0 CCAEMN CCN1CC[C@@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000329658310 276396292 /nfs/dbraw/zinc/39/62/92/276396292.db2.gz NICRAXYAZULJAG-GFCCVEGCSA-N 0 1 275.418 0.791 10 0 CCAEMN CC(=O)N[C@H]1CCCN([C@H]2CCCCNC2=O)C1 ZINC000245925962 277058354 /nfs/dbraw/zinc/05/83/54/277058354.db2.gz UBQKMIYBBIYERP-RYUDHWBXSA-N 0 1 253.346 0.256 10 0 CCAEMN CN1C[C@H](NC(=O)N2CCN3CCCC[C@@H]3C2)CCC1=O ZINC000162918641 277203209 /nfs/dbraw/zinc/20/32/09/277203209.db2.gz MRTFMCWWBKJQJC-CHWSQXEVSA-N 0 1 294.399 0.487 10 0 CCAEMN C[C@H](C(=O)N(C)C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000246830888 279182607 /nfs/dbraw/zinc/18/26/07/279182607.db2.gz CLEWDRNVTPZWKW-GHMZBOCLSA-N 0 1 250.346 0.686 10 0 CCAEMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCC(=O)N(C)C ZINC000335403231 288296513 /nfs/dbraw/zinc/29/65/13/288296513.db2.gz FCLKDSFANJWHHE-NEPJUHHUSA-N 0 1 282.388 0.343 10 0 CCAEMN C[C@@H]1CNCCN1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000333291935 288317802 /nfs/dbraw/zinc/31/78/02/288317802.db2.gz HWVFXCWDIMPKDX-MWLCHTKSSA-N 0 1 263.345 0.790 10 0 CCAEMN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000131878075 289017953 /nfs/dbraw/zinc/01/79/53/289017953.db2.gz XQYBILXZJVPFDL-ZWNOBZJWSA-N 0 1 290.367 0.909 10 0 CCAEMN C[C@@H]1COC[C@@H](C)N1C(=O)c1[nH]nc2c1CNCC2 ZINC000188609292 297147270 /nfs/dbraw/zinc/14/72/70/297147270.db2.gz MCAGNZBQNGCYFA-RKDXNWHRSA-N 0 1 264.329 0.305 10 0 CCAEMN Nc1ncc(S(=O)(=O)NCC(F)(F)F)s1 ZINC000396173170 545088421 /nfs/dbraw/zinc/08/84/21/545088421.db2.gz UFWJRKPYEUCGGP-UHFFFAOYSA-N 0 1 261.250 0.566 10 0 CCAEMN CCCN[C@@H](CCN1CCCOCC1)C(=O)OC ZINC000062533435 519998344 /nfs/dbraw/zinc/99/83/44/519998344.db2.gz FQNNRDMVTHMMII-LBPRGKRZSA-N 0 1 258.362 0.640 10 0 CCAEMN CNc1ccccc1S(=O)(=O)NC[C@@H](C)N(C)C ZINC000050673023 522662388 /nfs/dbraw/zinc/66/23/88/522662388.db2.gz VTIBYUHDHIPATK-SNVBAGLBSA-N 0 1 271.386 0.957 10 0 CCAEMN COCC[N@H+](CC[C@@H]1CCCCN1C)CC(=O)[O-] ZINC000049607612 523727574 /nfs/dbraw/zinc/72/75/74/523727574.db2.gz NZVVILNUPDMDGC-LBPRGKRZSA-N 0 1 258.362 0.894 10 0 CCAEMN COCC[N@@H+](CC[C@@H]1CCCCN1C)CC(=O)[O-] ZINC000049607612 523727580 /nfs/dbraw/zinc/72/75/80/523727580.db2.gz NZVVILNUPDMDGC-LBPRGKRZSA-N 0 1 258.362 0.894 10 0 CCAEMN C[C@@H](NCc1ccc(F)c(F)c1)C(=O)NC(N)=O ZINC000049577765 525522803 /nfs/dbraw/zinc/52/28/03/525522803.db2.gz JPBKCQXVBCRCCY-ZCFIWIBFSA-N 0 1 257.240 0.638 10 0 CCAEMN C[C@H](C(=O)N(C)Cc1ccccc1)N1C[C@H](O)C[C@@H]1CO ZINC000184721136 525937890 /nfs/dbraw/zinc/93/78/90/525937890.db2.gz VAGHSAXBHXLZHO-BPLDGKMQSA-N 0 1 292.379 0.461 10 0 CCAEMN CC(C)n1cc(CN2CC[C@@](O)(Cn3ccnn3)C2)cn1 ZINC000671491286 545249593 /nfs/dbraw/zinc/24/95/93/545249593.db2.gz AWRCNWRLQAFHOA-AWEZNQCLSA-N 0 1 290.371 0.693 10 0 CCAEMN CCCOC(=O)[C@H](C)N1CCN(CCOC)[C@H](C)C1 ZINC000119161134 614932425 /nfs/dbraw/zinc/93/24/25/614932425.db2.gz FPRQOFZBSSLZBB-OLZOCXBDSA-N 0 1 272.389 0.981 10 0 CCAEMN CCn1cncc1CN[C@H]1C[C@@H](O)[C@@H]1n1cc(C)cn1 ZINC000888077153 615631193 /nfs/dbraw/zinc/63/11/93/615631193.db2.gz NZKSCZAJGXXURK-BFHYXJOUSA-N 0 1 275.356 0.872 10 0 CCAEMN CNc1ncc(C(=O)N2CCC[C@H]2c2nn[nH]n2)s1 ZINC000900388243 616273407 /nfs/dbraw/zinc/27/34/07/616273407.db2.gz FYZSXIXMEGHFEN-LURJTMIESA-N 0 1 279.329 0.675 10 0 CCAEMN CCOCCN1CCN(C(=O)c2[nH]nnc2C)C[C@H]1C ZINC000194145587 625573972 /nfs/dbraw/zinc/57/39/72/625573972.db2.gz NFLYNKHGSMOPAJ-SNVBAGLBSA-N 0 1 281.360 0.296 10 0 CCAEMN CN(Cc1ccc(Br)cc1)C(=O)[C@@H](N)CO ZINC000259074679 631030870 /nfs/dbraw/zinc/03/08/70/631030870.db2.gz XLPYIOAWSZOLBA-JTQLQIEISA-N 0 1 287.157 0.727 10 0 CCAEMN Cc1cc(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n[nH]1 ZINC000895752725 632145040 /nfs/dbraw/zinc/14/50/40/632145040.db2.gz KVBNDUXRLBIGRQ-VHSXEESVSA-N 0 1 250.302 0.520 10 0 CCAEMN O=C(NCCN1CCCC1)c1nn2c(c1F)OCC2 ZINC000223849375 632680426 /nfs/dbraw/zinc/68/04/26/632680426.db2.gz DNQHCDCTGGHKGK-UHFFFAOYSA-N 0 1 268.292 0.240 10 0 CCAEMN Cc1nc2c(cccc2C(=O)N2CCOC[C@@H]2CO)[nH]1 ZINC000912416317 636579236 /nfs/dbraw/zinc/57/92/36/636579236.db2.gz LZJNLGIBBPWSHN-JTQLQIEISA-N 0 1 275.308 0.705 10 0 CCAEMN CN(C(=O)NC[C@H]1CCC[N@H+]1C)C(C)(C)C(=O)[O-] ZINC000225890696 636959209 /nfs/dbraw/zinc/95/92/09/636959209.db2.gz YQNHPHNVRFTEHP-SECBINFHSA-N 0 1 257.334 0.585 10 0 CCAEMN COC[C@@H](N)C(=O)N[C@@H](Cn1ccnc1)C(C)(C)C ZINC000167757710 636974758 /nfs/dbraw/zinc/97/47/58/636974758.db2.gz PYNVCMCNUIPCPS-MNOVXSKESA-N 0 1 268.361 0.388 10 0 CCAEMN CC[C@@H]1CN(C(=O)C2=COCCO2)CCN1C[C@@H](C)O ZINC000174618850 637270417 /nfs/dbraw/zinc/27/04/17/637270417.db2.gz RKJXIFLTFXNOSQ-VXGBXAGGSA-N 0 1 284.356 0.178 10 0 CCAEMN COCCN1CCN(CC(=O)OCC(C)C)C[C@H]1C ZINC000181451240 638366850 /nfs/dbraw/zinc/36/68/50/638366850.db2.gz KYGVOCGACRLQLX-CYBMUJFWSA-N 0 1 272.389 0.838 10 0 CCAEMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1C ZINC000887015666 648056641 /nfs/dbraw/zinc/05/66/41/648056641.db2.gz ARFAIMHPRJJTEZ-GHMZBOCLSA-N 0 1 279.340 0.686 10 0 CCAEMN C[N@@H+]1CCO[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])C1 ZINC000092057170 649717971 /nfs/dbraw/zinc/71/79/71/649717971.db2.gz VYHHBZCPAARTSY-VHSXEESVSA-N 0 1 288.344 0.685 10 0 CCAEMN C[N@H+]1CCO[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])C1 ZINC000092057170 649717972 /nfs/dbraw/zinc/71/79/72/649717972.db2.gz VYHHBZCPAARTSY-VHSXEESVSA-N 0 1 288.344 0.685 10 0 CCAEMN Cc1n[nH]cc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000252673196 649831640 /nfs/dbraw/zinc/83/16/40/649831640.db2.gz HGOCREGWKOVBJH-KOLCDFICSA-N 0 1 284.385 0.575 10 0 CCAEMN COc1ccc(OC)c([C@H](C)NC[C@H](O)CO)c1 ZINC000105827318 838612090 /nfs/dbraw/zinc/61/20/90/838612090.db2.gz SADLQMLLDPLHOD-UWVGGRQHSA-N 0 1 255.314 0.708 10 0 CCAEMN C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000687217353 954613875 /nfs/dbraw/zinc/61/38/75/954613875.db2.gz ROAKDNWFRMVFOB-LMLFDSFASA-N 0 1 252.314 0.402 10 0 CCAEMN C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000687217353 954613878 /nfs/dbraw/zinc/61/38/78/954613878.db2.gz ROAKDNWFRMVFOB-LMLFDSFASA-N 0 1 252.314 0.402 10 0 CCAEMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCCN2CCOC2=O)C1 ZINC000690497183 954673194 /nfs/dbraw/zinc/67/31/94/954673194.db2.gz NILOTQILMLCNGK-MNOVXSKESA-N 0 1 270.329 0.871 10 0 CCAEMN O=C([O-])[C@@H]1C[N@H+]([C@@H]2CCNC2=O)Cc2ccccc21 ZINC000691458706 954684688 /nfs/dbraw/zinc/68/46/88/954684688.db2.gz AAPPVLNJURJBSI-VXGBXAGGSA-N 0 1 260.293 0.559 10 0 CCAEMN COC[C@H](C)OC[C@@H](O)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000692094574 954692030 /nfs/dbraw/zinc/69/20/30/954692030.db2.gz IDIONNWXUSLPMK-RYUDHWBXSA-N 0 1 291.388 0.832 10 0 CCAEMN C[C@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC000693448214 954750714 /nfs/dbraw/zinc/75/07/14/954750714.db2.gz QOJNCJFIIVNINF-JGVFFNPUSA-N 0 1 282.262 0.708 10 0 CCAEMN C[C@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC000693448214 954750726 /nfs/dbraw/zinc/75/07/26/954750726.db2.gz QOJNCJFIIVNINF-JGVFFNPUSA-N 0 1 282.262 0.708 10 0 CCAEMN C[N@H+]1CCCC[C@H](CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC000700801875 954873460 /nfs/dbraw/zinc/87/34/60/954873460.db2.gz FRRVNHDLVZJRFL-KOLCDFICSA-N 0 1 283.328 0.064 10 0 CCAEMN O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000703570930 954913202 /nfs/dbraw/zinc/91/32/02/954913202.db2.gz KGOPIUBGOGVTEF-BBBLOLIVSA-N 0 1 267.329 0.386 10 0 CCAEMN C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C(=O)[O-] ZINC000705111013 954932699 /nfs/dbraw/zinc/93/26/99/954932699.db2.gz VUEAEHDPIGQBMH-MNOVXSKESA-N 0 1 271.361 0.690 10 0 CCAEMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCCCS(C)(=O)=O ZINC000705565460 954936519 /nfs/dbraw/zinc/93/65/19/954936519.db2.gz VPFGZEOYOXCMAI-GHMZBOCLSA-N 0 1 277.386 0.996 10 0 CCAEMN O=C([O-])CN1CC[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]32)C1=O ZINC000706949849 954962435 /nfs/dbraw/zinc/96/24/35/954962435.db2.gz SGXMDGUYHZQWAP-DCAQKATOSA-N 0 1 252.314 0.546 10 0 CCAEMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)[O-] ZINC000708533805 954999631 /nfs/dbraw/zinc/99/96/31/954999631.db2.gz RCLKXUIRZLVSJP-AAEUAGOBSA-N 0 1 276.336 0.955 10 0 CCAEMN CCn1ncnc1C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000710494162 955026233 /nfs/dbraw/zinc/02/62/33/955026233.db2.gz JDOVZXQZOQLWDA-ZJUUUORDSA-N 0 1 252.318 0.841 10 0 CCAEMN CCn1ncnc1C[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000710494162 955026246 /nfs/dbraw/zinc/02/62/46/955026246.db2.gz JDOVZXQZOQLWDA-ZJUUUORDSA-N 0 1 252.318 0.841 10 0 CCAEMN CCN(C(=O)NCC1(C(=O)[O-])CCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000710553469 955029229 /nfs/dbraw/zinc/02/92/29/955029229.db2.gz DNCRHDWWTWPCEM-LLVKDONJSA-N 0 1 283.372 0.977 10 0 CCAEMN CCn1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)nn1 ZINC000714435634 955106597 /nfs/dbraw/zinc/10/65/97/955106597.db2.gz QAGSIPFZTATYHN-KOLCDFICSA-N 0 1 252.318 0.841 10 0 CCAEMN CCn1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)nn1 ZINC000714435634 955106603 /nfs/dbraw/zinc/10/66/03/955106603.db2.gz 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CCC[C@](C)(NC(=O)c1cnc(C[NH3+])s1)C(=O)[O-] ZINC000720252893 978027185 /nfs/dbraw/zinc/02/71/85/978027185.db2.gz DEMMKIXRNVDGGP-NSHDSACASA-N 0 1 271.342 0.975 10 0 CCAEMN Cc1cc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(C)nn1 ZINC000720569220 978038122 /nfs/dbraw/zinc/03/81/22/978038122.db2.gz YPABUFOLRSBKKZ-VXGBXAGGSA-N 0 1 265.313 0.361 10 0 CCAEMN O=C([O-])c1nc(C(=O)NCC[NH+]2CCC2)cs1 ZINC000721383333 978100882 /nfs/dbraw/zinc/10/08/82/978100882.db2.gz LRFLEANPRFGQLB-UHFFFAOYSA-N 0 1 255.299 0.277 10 0 CCAEMN C[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)C[C@H]1CC(=O)[O-] ZINC000722607846 978148817 /nfs/dbraw/zinc/14/88/17/978148817.db2.gz MHKAAAROPJZUCM-GHMZBOCLSA-N 0 1 283.372 0.833 10 0 CCAEMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@H]1CC(=O)[O-] ZINC000722605704 978148910 /nfs/dbraw/zinc/14/89/10/978148910.db2.gz AFXKXAQRKMXODH-IJLUTSLNSA-N 0 1 283.372 0.833 10 0 CCAEMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724943330 978249117 /nfs/dbraw/zinc/24/91/17/978249117.db2.gz NYBSDTSDMJPWTG-GHMZBOCLSA-N 0 1 275.370 0.684 10 0 CCAEMN CNC(=O)[C@H](NC(=O)c1cnccc1N(C)C)C(C)C ZINC000184001018 290604598 /nfs/dbraw/zinc/60/45/98/290604598.db2.gz ZNCIEQVDPLIJEW-GFCCVEGCSA-N 0 1 278.356 0.648 10 0 CCAEMN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCNCC2)cc1F ZINC000094963281 349580519 /nfs/dbraw/zinc/58/05/19/349580519.db2.gz QIWPWNLQYAHARZ-LLVKDONJSA-N 0 1 293.342 0.743 10 0 CCAEMN CCS(=O)(=O)CCNCc1nc(C)ccc1O ZINC000103345195 349698004 /nfs/dbraw/zinc/69/80/04/349698004.db2.gz VABHFNCNMHWKMB-UHFFFAOYSA-N 0 1 258.343 0.620 10 0 CCAEMN CC(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000105817815 349725033 /nfs/dbraw/zinc/72/50/33/349725033.db2.gz WFYBTNMHUSDAPF-AWEZNQCLSA-N 0 1 269.389 0.260 10 0 CCAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)C3CC3)CC2)C1 ZINC000105817893 349725680 /nfs/dbraw/zinc/72/56/80/349725680.db2.gz WUCNOHJLIYFONQ-HNNXBMFYSA-N 0 1 295.427 0.650 10 0 CCAEMN CC1(CNC(=O)N2CCN3CCCC[C@H]3C2)COC1 ZINC000112753466 349791988 /nfs/dbraw/zinc/79/19/88/349791988.db2.gz KZYFOZPWKDKKKD-LBPRGKRZSA-N 0 1 267.373 0.903 10 0 CCAEMN CN1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135308234 136392150 /nfs/dbraw/zinc/39/21/50/136392150.db2.gz IKOJAMWRHGGTOV-OLZOCXBDSA-N 0 1 289.383 0.656 10 0 CCAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C)CCO2)n[nH]1 ZINC000367494862 529745630 /nfs/dbraw/zinc/74/56/30/529745630.db2.gz IICXEUSRAWWTEV-AXFHLTTASA-N 0 1 294.355 0.692 10 0 CCAEMN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCN1C)CC2 ZINC000114873286 349844509 /nfs/dbraw/zinc/84/45/09/349844509.db2.gz KZKORZHKFPYFQR-WDEREUQCSA-N 0 1 277.372 0.366 10 0 CCAEMN CCC[C@H](NC(=O)[C@H]1CC[C@H](C)O1)c1nn[nH]n1 ZINC000120075665 349968452 /nfs/dbraw/zinc/96/84/52/349968452.db2.gz QLBUEDSHHUONIZ-XHNCKOQMSA-N 0 1 253.306 0.725 10 0 CCAEMN CN1CC[C@H](N2C[C@H](CO)[C@@H](c3ccsc3)C2)C1=O ZINC000249545592 137000071 /nfs/dbraw/zinc/00/00/71/137000071.db2.gz GEJOQKCWOUMECM-UPJWGTAASA-N 0 1 280.393 0.987 10 0 CCAEMN COC[C@@H](N)C(=O)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000262353386 137040024 /nfs/dbraw/zinc/04/00/24/137040024.db2.gz UTCMCXJRIBRMDE-CYBMUJFWSA-N 0 1 289.339 0.199 10 0 CCAEMN COC[C@@H](N)C(=O)NC[C@@H](O)c1ccc(C)cc1 ZINC000262181690 137029600 /nfs/dbraw/zinc/02/96/00/137029600.db2.gz BPNISMXUATWWIH-VXGBXAGGSA-N 0 1 252.314 0.118 10 0 CCAEMN CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262249538 137032949 /nfs/dbraw/zinc/03/29/49/137032949.db2.gz ZFJNFAVUOJUXKV-TVQRCGJNSA-N 0 1 283.328 0.019 10 0 CCAEMN CC(C)n1cc(CN[C@@H]2CCC(=O)N[C@H]2C)nn1 ZINC000342126799 137087496 /nfs/dbraw/zinc/08/74/96/137087496.db2.gz FHOXYPWBVVUUBT-GXSJLCMTSA-N 0 1 251.334 0.616 10 0 CCAEMN Cc1cccc(OCCCS(=O)(=O)c2n[nH]c(N)n2)c1 ZINC000008015874 348009694 /nfs/dbraw/zinc/00/96/94/348009694.db2.gz RCSZWBSPPLWZLP-UHFFFAOYSA-N 0 1 296.352 0.938 10 0 CCAEMN COC(=O)Cc1csc(NS(=O)(=O)N(C)C)n1 ZINC000036818477 348172379 /nfs/dbraw/zinc/17/23/79/348172379.db2.gz GSIRZJUFSAZELN-UHFFFAOYSA-N 0 1 279.343 0.077 10 0 CCAEMN O=C(CNc1ccc(Cl)cn1)N1CCNCC1 ZINC000037716328 348199364 /nfs/dbraw/zinc/19/93/64/348199364.db2.gz MVHZKVVESMKEPT-UHFFFAOYSA-N 0 1 254.721 0.579 10 0 CCAEMN CCCCNC(=O)NC(=O)CN1CCC[C@@H]1CCCO ZINC000052762731 348514693 /nfs/dbraw/zinc/51/46/93/348514693.db2.gz JYJPATJATLEBPK-GFCCVEGCSA-N 0 1 285.388 0.849 10 0 CCAEMN CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](c3nnn[n-]3)C[C@@H]2C1 ZINC000056705146 348593861 /nfs/dbraw/zinc/59/38/61/348593861.db2.gz KPJGJAMQQDPGGT-VHSXEESVSA-N 0 1 294.359 0.608 10 0 CCAEMN CC(C)(C)OC(=O)N1CCN2C[C@@H](c3nn[nH]n3)C[C@@H]2C1 ZINC000056705146 348593869 /nfs/dbraw/zinc/59/38/69/348593869.db2.gz KPJGJAMQQDPGGT-VHSXEESVSA-N 0 1 294.359 0.608 10 0 CCAEMN C[C@@H]1COC[C@H](C)N1C[C@H](O)COC[C@@H]1CCCO1 ZINC000077657905 349116220 /nfs/dbraw/zinc/11/62/20/349116220.db2.gz LUHOBTYSWZVCAH-CRWXNKLISA-N 0 1 273.373 0.652 10 0 CCAEMN COCCN1CCN(Cc2c(C)nn(C)c2OC)C[C@H]1C ZINC000120825869 350008268 /nfs/dbraw/zinc/00/82/68/350008268.db2.gz KUNFTVXEDOXDIP-GFCCVEGCSA-N 0 1 296.415 0.890 10 0 CCAEMN NCC(=O)NCC(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000124939647 350111674 /nfs/dbraw/zinc/11/16/74/350111674.db2.gz YVHFFZJJEIBFKI-UHFFFAOYSA-N 0 1 291.286 0.025 10 0 CCAEMN C[C@H](C[S@](C)=O)N(C)C[C@H](O)COC(C)(C)C ZINC000125998252 350135299 /nfs/dbraw/zinc/13/52/99/350135299.db2.gz SDPONJDCAZWPQJ-VGTOOOLASA-N 0 1 265.419 0.861 10 0 CCAEMN CN1CCO[C@H](CNC(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000105279202 186049175 /nfs/dbraw/zinc/04/91/75/186049175.db2.gz AFVOBVXSROTRQU-ZIAGYGMSSA-N 0 1 296.415 0.197 10 0 CCAEMN CCOCCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135706225 350407512 /nfs/dbraw/zinc/40/75/12/350407512.db2.gz BJSHNYAXRXYNFP-GFCCVEGCSA-N 0 1 276.402 0.523 10 0 CCAEMN CCOCCN1CCN(CC(=O)NC(C)C)C[C@@H]1CC ZINC000105837564 186076421 /nfs/dbraw/zinc/07/64/21/186076421.db2.gz UKFLNCRTCPZEJW-AWEZNQCLSA-N 0 1 285.432 0.944 10 0 CCAEMN C[C@@H](C(=O)N(C)C)N1CCC(Nc2cccnn2)CC1 ZINC000105910182 186089349 /nfs/dbraw/zinc/08/93/49/186089349.db2.gz HOPNPKKVIFFZLE-NSHDSACASA-N 0 1 277.372 0.830 10 0 CCAEMN CCOCCN1CCN([C@@H](C)C(=O)N(C)C)C[C@@H]1CC ZINC000105915046 186089704 /nfs/dbraw/zinc/08/97/04/186089704.db2.gz AZNPUFWGFZVJMI-KBPBESRZSA-N 0 1 285.432 0.896 10 0 CCAEMN CCCNC(=O)NC(=O)CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153000601 350548728 /nfs/dbraw/zinc/54/87/28/350548728.db2.gz MVVQKFVOSULAIG-NEPJUHHUSA-N 0 1 283.372 0.723 10 0 CCAEMN C[S@@](=O)CCNC1CN(C(=O)OC(C)(C)C)C1 ZINC000157897269 350651576 /nfs/dbraw/zinc/65/15/76/350651576.db2.gz LQQHCCAFOTWBGY-KRWDZBQOSA-N 0 1 262.375 0.574 10 0 CCAEMN CCCC(=O)N1CCN([C@H](CC)C(N)=S)CC1 ZINC000110444247 186296654 /nfs/dbraw/zinc/29/66/54/186296654.db2.gz SBPSWUCEPFSPPN-SNVBAGLBSA-N 0 1 257.403 0.995 10 0 CCAEMN CCC[C@H](C(=O)Nc1nc(C(N)=O)cs1)N(C)C ZINC000161675891 350726683 /nfs/dbraw/zinc/72/66/83/350726683.db2.gz MZZNOJADPOLGNV-MRVPVSSYSA-N 0 1 270.358 0.911 10 0 CCAEMN COC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000163308307 350763500 /nfs/dbraw/zinc/76/35/00/350763500.db2.gz LPDCVQDZNWIMFT-YPMHNXCESA-N 0 1 278.352 0.837 10 0 CCAEMN CCCc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)n[nH]1 ZINC000172766706 351009724 /nfs/dbraw/zinc/00/97/24/351009724.db2.gz DESHBGWNROGWFG-CYBMUJFWSA-N 0 1 292.383 0.909 10 0 CCAEMN Cc1nc([C@H]2CN(C(=O)[C@H]3CCOC3)CCO2)n[nH]1 ZINC000173530517 351043863 /nfs/dbraw/zinc/04/38/63/351043863.db2.gz VYTWHFYHXRZTDQ-VHSXEESVSA-N 0 1 266.301 0.050 10 0 CCAEMN CCCCNC(=O)CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173654908 351048389 /nfs/dbraw/zinc/04/83/89/351048389.db2.gz PVUGDJNALAHDTM-LLVKDONJSA-N 0 1 281.360 0.403 10 0 CCAEMN CCCS(=O)(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173733946 351052315 /nfs/dbraw/zinc/05/23/15/351052315.db2.gz YTLKUUKHMKEJJW-VIFPVBQESA-N 0 1 274.346 0.226 10 0 CCAEMN CCCCCNC(=O)CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173759342 351052664 /nfs/dbraw/zinc/05/26/64/351052664.db2.gz MWRWKEZATYABRC-LBPRGKRZSA-N 0 1 295.387 0.793 10 0 CCAEMN CC[C@@H]1CN(C(=O)c2cccn2C)CCN1C[C@@H](C)O ZINC000174613927 351095000 /nfs/dbraw/zinc/09/50/00/351095000.db2.gz IJBROASIMPUSAU-CHWSQXEVSA-N 0 1 279.384 0.942 10 0 CCAEMN Cc1nc([C@H]2CN(Cc3c[nH]nc3C)CCO2)n[nH]1 ZINC000180119057 351281062 /nfs/dbraw/zinc/28/10/62/351281062.db2.gz JYOIAGAVNUZIMU-LLVKDONJSA-N 0 1 262.317 0.718 10 0 CCAEMN COCCOCCC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181363778 351314663 /nfs/dbraw/zinc/31/46/63/351314663.db2.gz HLCVAKULNBFOEM-NSHDSACASA-N 0 1 282.344 0.911 10 0 CCAEMN COCCCOCC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181384081 351315929 /nfs/dbraw/zinc/31/59/29/351315929.db2.gz XONYXNMJUJFBLS-NSHDSACASA-N 0 1 282.344 0.911 10 0 CCAEMN CCc1nc(CN2CCO[C@H](Cn3cccn3)C2)n[nH]1 ZINC000181692010 351331950 /nfs/dbraw/zinc/33/19/50/351331950.db2.gz ANOQWNAELZLWMK-NSHDSACASA-N 0 1 276.344 0.465 10 0 CCAEMN C[S@](=O)CCC(=O)N1CCCN(C2CC2)CC1 ZINC000179725931 351276263 /nfs/dbraw/zinc/27/62/63/351276263.db2.gz CICNBSMENKAYGX-KRWDZBQOSA-N 0 1 258.387 0.452 10 0 CCAEMN CC[C@H](O)CN1CCN(Cc2noc(COC)n2)CC1 ZINC000182512546 351365475 /nfs/dbraw/zinc/36/54/75/351365475.db2.gz IEZYXOOOGMGLLO-NSHDSACASA-N 0 1 284.360 0.105 10 0 CCAEMN CN1C(=O)CC[C@H]1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000336505196 213379883 /nfs/dbraw/zinc/37/98/83/213379883.db2.gz AUCDBKXIWVVIJU-NEPJUHHUSA-N 0 1 265.357 0.304 10 0 CCAEMN CN(C)S(=O)(=O)CCN[C@H]1CCc2c1cccc2O ZINC000230987824 352123407 /nfs/dbraw/zinc/12/34/07/352123407.db2.gz VSUQJSQRZMXJLX-LBPRGKRZSA-N 0 1 284.381 0.861 10 0 CCAEMN COC(=O)[C@@](C)(O)CN[C@@H](CO)c1ccccc1 ZINC000228647956 352078864 /nfs/dbraw/zinc/07/88/64/352078864.db2.gz QIWFTRHRVCGQQU-AAEUAGOBSA-N 0 1 253.298 0.234 10 0 CCAEMN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000245586473 352330103 /nfs/dbraw/zinc/33/01/03/352330103.db2.gz DPDNLCRJJTVJFN-AEJSXWLSSA-N 0 1 278.312 0.667 10 0 CCAEMN O=C(CN1CCN2CCCC[C@@H]2C1)NC[C@@H]1CCCO1 ZINC000246490361 352369597 /nfs/dbraw/zinc/36/95/97/352369597.db2.gz HDBOBUWNBCBRRJ-KGLIPLIRSA-N 0 1 281.400 0.452 10 0 CCAEMN COCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000246679325 352378546 /nfs/dbraw/zinc/37/85/46/352378546.db2.gz MLSUADDEHCDNOQ-LSDHHAIUSA-N 0 1 292.379 0.632 10 0 CCAEMN CC[C@@H]1CN(C(=O)c2c[nH]nc2C)CCN1C[C@H](C)O ZINC000246876434 352387272 /nfs/dbraw/zinc/38/72/72/352387272.db2.gz OIWFPQABCVORRJ-CMPLNLGQSA-N 0 1 280.372 0.635 10 0 CCAEMN CCOCCN1CCN(CCN2C(=O)CCC2=O)C[C@H]1C ZINC000246987376 352391618 /nfs/dbraw/zinc/39/16/18/352391618.db2.gz ATSWRJUZYVGGFK-CYBMUJFWSA-N 0 1 297.399 0.178 10 0 CCAEMN CC[C@@H]1CN(C(=O)c2cncc(O)c2)CCN1C[C@H](C)O ZINC000248451180 352442203 /nfs/dbraw/zinc/44/22/03/352442203.db2.gz FXOXWURMBCINNF-WCQYABFASA-N 0 1 293.367 0.704 10 0 CCAEMN CC(C)OCCS(=O)(=O)N1CCN2CCC[C@H]2C1 ZINC000248345145 352436271 /nfs/dbraw/zinc/43/62/71/352436271.db2.gz MLBGXCSNGZQTIR-LBPRGKRZSA-N 0 1 276.402 0.521 10 0 CCAEMN CC[C@@H]1CN(C(=O)[C@H]2CCCOC2)CCN1CCOC ZINC000247225044 352405119 /nfs/dbraw/zinc/40/51/19/352405119.db2.gz VXCUXHJMSOCBBQ-UONOGXRCSA-N 0 1 284.400 0.982 10 0 CCAEMN C[C@H](c1nnnn1C)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000248936854 352467486 /nfs/dbraw/zinc/46/74/86/352467486.db2.gz CCIRDDNVISBATF-NWDGAFQWSA-N 0 1 294.403 0.456 10 0 CCAEMN CN1CCOC[C@H]2CCN(C(=O)c3ccncc3)C[C@H]21 ZINC000257177048 352548120 /nfs/dbraw/zinc/54/81/20/352548120.db2.gz DJEWSZFGELOLBL-ZIAGYGMSSA-N 0 1 275.352 0.874 10 0 CCAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C)CCO2)n[nH]1 ZINC000173574543 137665862 /nfs/dbraw/zinc/66/58/62/137665862.db2.gz LISSHIDIKSIYMK-AEJSXWLSSA-N 0 1 264.329 0.923 10 0 CCAEMN COC(=O)c1coc(CN[C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282220067 353404340 /nfs/dbraw/zinc/40/43/40/353404340.db2.gz DWJIIFUWNSIXHQ-LDYMZIIASA-N 0 1 266.297 0.823 10 0 CCAEMN O=c1[n-]c([C@@H]2CCC[N@H+]([C@H]3CCCC[C@H]3O)C2)n[nH]1 ZINC000329615951 354258694 /nfs/dbraw/zinc/25/86/94/354258694.db2.gz DIKCAFGIQSUGQP-OUAUKWLOSA-N 0 1 266.345 0.993 10 0 CCAEMN O=C(NC[C@H]1COCCO1)N1CCN2CCCC[C@H]2C1 ZINC000332806088 354735017 /nfs/dbraw/zinc/73/50/17/354735017.db2.gz PMBZEXMYCLSHOM-STQMWFEESA-N 0 1 283.372 0.282 10 0 CCAEMN CC(C)N1CCCC[C@@H]1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000335925911 355047714 /nfs/dbraw/zinc/04/77/14/355047714.db2.gz 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CCAEMN CC[N@H+]1C[C@H](NC(=O)c2cc(C(=O)[O-])on2)C(C)(C)C1 ZINC000722252524 978134827 /nfs/dbraw/zinc/13/48/27/978134827.db2.gz MBMBYKJKWNTNEM-JTQLQIEISA-N 0 1 281.312 0.833 10 0 CCAEMN O=C([O-])c1cc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c[nH]1 ZINC000722780725 978166468 /nfs/dbraw/zinc/16/64/68/978166468.db2.gz YUKDFCNXNGOOJI-UHFFFAOYSA-N 0 1 299.352 0.182 10 0 CCAEMN C[N@H+]1CCC[C@@H](CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC000723262999 978187995 /nfs/dbraw/zinc/18/79/95/978187995.db2.gz ZEIGRPVYQPUCSO-GARJFASQSA-N 0 1 290.385 0.111 10 0 CCAEMN Cc1[nH]c(CNC(=O)c2ccc(C(=O)[O-])[nH]2)c(C)[nH+]1 ZINC000724790088 978244913 /nfs/dbraw/zinc/24/49/13/978244913.db2.gz ACIINGCLFZXEEX-UHFFFAOYSA-N 0 1 262.269 0.983 10 0 CCAEMN Cn1ncc(C(=O)[O-])c1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000725232583 978283925 /nfs/dbraw/zinc/28/39/25/978283925.db2.gz VICMRKRRFDBZCC-QMMMGPOBSA-N 0 1 281.316 0.334 10 0 CCAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCCN1C ZINC000408400081 282105122 /nfs/dbraw/zinc/10/51/22/282105122.db2.gz OJBWHUFJRKJEED-GHMZBOCLSA-N 0 1 263.345 0.632 10 0 CCAEMN Nc1nc2ccc(C(=O)N3CCNCC3)cc2s1 ZINC000082697454 178196666 /nfs/dbraw/zinc/19/66/66/178196666.db2.gz UTDKSZRNPAGWET-UHFFFAOYSA-N 0 1 262.338 0.924 10 0 CCAEMN Cc1nc2ncnn2c(N2C[C@@H]3OCCN(C)[C@H]3C2)c1C ZINC000301634471 282131550 /nfs/dbraw/zinc/13/15/50/282131550.db2.gz DQUBAJWXZHGBCJ-RYUDHWBXSA-N 0 1 288.355 0.260 10 0 CCAEMN CCN1CCCC[C@H]1C(=O)NCc1ccnn1C ZINC000104244427 349712886 /nfs/dbraw/zinc/71/28/86/349712886.db2.gz BOPWPENDKUHUTB-LBPRGKRZSA-N 0 1 250.346 0.911 10 0 CCAEMN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)C(=O)NC(N)=O ZINC000105894722 349727503 /nfs/dbraw/zinc/72/75/03/349727503.db2.gz SRDJMAANGZODSX-QWRGUYRKSA-N 0 1 293.371 0.757 10 0 CCAEMN CCn1cnnc1C1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000105929542 349729542 /nfs/dbraw/zinc/72/95/42/349729542.db2.gz BXBURSSAXNTPOP-LLVKDONJSA-N 0 1 279.388 0.954 10 0 CCAEMN CN(C(=O)CN1CC[C@@H](c2cnn(C)c2)C1)C1CC1 ZINC000116319039 349867834 /nfs/dbraw/zinc/86/78/34/349867834.db2.gz JMAGWJIUMNSAFI-LLVKDONJSA-N 0 1 262.357 0.830 10 0 CCAEMN Cn1cc([C@H]2CCN(CC(=O)N3CCOCC3)C2)cn1 ZINC000116312759 349867384 /nfs/dbraw/zinc/86/73/84/349867384.db2.gz UTLXOKTXVPZOFP-LBPRGKRZSA-N 0 1 278.356 0.068 10 0 CCAEMN CC[C@H](O)CN1CCN(CC(=O)NCc2ccco2)CC1 ZINC000118857642 349909413 /nfs/dbraw/zinc/90/94/13/349909413.db2.gz RNYIKHJPCZFIER-ZDUSSCGKSA-N 0 1 295.383 0.284 10 0 CCAEMN CCOCCCC(=O)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000404050735 290765438 /nfs/dbraw/zinc/76/54/38/290765438.db2.gz DZNHFWJVNTYCSF-RYUDHWBXSA-N 0 1 256.346 0.392 10 0 CCAEMN O=C(COC[C@@H]1CCOC1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181390496 136893855 /nfs/dbraw/zinc/89/38/55/136893855.db2.gz XTCZHLFAXXLFED-NEPJUHHUSA-N 0 1 294.355 0.911 10 0 CCAEMN CSC1(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CC1 ZINC000191914006 136939466 /nfs/dbraw/zinc/93/94/66/136939466.db2.gz BSMUDNQABVLNSU-VIFPVBQESA-N 0 1 282.369 0.909 10 0 CCAEMN [NH3+]CC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCOCC1 ZINC000262013155 137028348 /nfs/dbraw/zinc/02/83/48/137028348.db2.gz VSOCYRKOIOAQLI-UHFFFAOYSA-N 0 1 293.249 0.518 10 0 CCAEMN O=C1NC[C@@H](CN2CCC[C@@](O)(C(F)(F)F)CC2)O1 ZINC000311965757 137076690 /nfs/dbraw/zinc/07/66/90/137076690.db2.gz IYXWESXFQKYBIE-WPRPVWTQSA-N 0 1 282.262 0.874 10 0 CCAEMN CC(C)n1cc(CN[C@@H]2CCC(=O)N[C@@H]2C)nn1 ZINC000342126803 137087463 /nfs/dbraw/zinc/08/74/63/137087463.db2.gz FHOXYPWBVVUUBT-MWLCHTKSSA-N 0 1 251.334 0.616 10 0 CCAEMN Nc1ccc(S(=O)(=O)Nc2ncccn2)cn1 ZINC000050634533 348477956 /nfs/dbraw/zinc/47/79/56/348477956.db2.gz NWPBJUUNSGWRDW-UHFFFAOYSA-N 0 1 251.271 0.255 10 0 CCAEMN O=C([O-])CC[NH+]1CCN(C2CCSCC2)CC1 ZINC000086730099 349344894 /nfs/dbraw/zinc/34/48/94/349344894.db2.gz FBLIDGMBWGDCKU-UHFFFAOYSA-N 0 1 258.387 0.974 10 0 CCAEMN CC(=O)N1CCN(c2ncc3c(C)nccn32)CC1 ZINC000089195508 349378983 /nfs/dbraw/zinc/37/89/83/349378983.db2.gz QNDNJUZHKSBQNY-UHFFFAOYSA-N 0 1 259.313 0.706 10 0 CCAEMN COCCN1CCN(Cc2c[nH]nc2C)C[C@H]1C ZINC000120856196 350009826 /nfs/dbraw/zinc/00/98/26/350009826.db2.gz TZABMCCIQWRWPI-LLVKDONJSA-N 0 1 252.362 0.871 10 0 CCAEMN CC[C@](C)(O)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000123239306 350072992 /nfs/dbraw/zinc/07/29/92/350072992.db2.gz QABWXSSHVPBPLO-HNNXBMFYSA-N 0 1 283.416 0.387 10 0 CCAEMN CN(C)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000134080025 350353332 /nfs/dbraw/zinc/35/33/32/350353332.db2.gz FXDFTKXYUVUTOU-ZIAGYGMSSA-N 0 1 277.368 0.893 10 0 CCAEMN CCOCCN1CCN(Cc2nccn2C)C[C@@H]1C ZINC000105835439 186075699 /nfs/dbraw/zinc/07/56/99/186075699.db2.gz ZRLHWQQKXUAXRA-ZDUSSCGKSA-N 0 1 266.389 0.963 10 0 CCAEMN CCN(CC)[C@@H](C)CNC(=O)N[C@@H](C)CS(C)(=O)=O ZINC000172245702 350970272 /nfs/dbraw/zinc/97/02/72/350970272.db2.gz CUGNIHKEPPNCLZ-QWRGUYRKSA-N 0 1 293.433 0.449 10 0 CCAEMN CCNS(=O)(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000172442156 350984004 /nfs/dbraw/zinc/98/40/04/350984004.db2.gz ZCVSYUDHGXDKIP-LBPRGKRZSA-N 0 1 271.386 0.733 10 0 CCAEMN CC[C@@H](O)CN1CCN(Cc2cn3cccnc3n2)CC1 ZINC000173458422 351040251 /nfs/dbraw/zinc/04/02/51/351040251.db2.gz RAUUTWMGTHURJV-CQSZACIVSA-N 0 1 289.383 0.618 10 0 CCAEMN Cc1nc([C@@H]2CN(C(=O)CCOC(C)C)CCO2)n[nH]1 ZINC000173521087 351042476 /nfs/dbraw/zinc/04/24/76/351042476.db2.gz DFWPTNLZGJURDT-NSHDSACASA-N 0 1 282.344 0.828 10 0 CCAEMN Cc1cc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)no1 ZINC000173522688 351042912 /nfs/dbraw/zinc/04/29/12/351042912.db2.gz KNGOFJSPVKWAID-JTQLQIEISA-N 0 1 277.284 0.623 10 0 CCAEMN CO[C@@H](C)CC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173529585 351043514 /nfs/dbraw/zinc/04/35/14/351043514.db2.gz WJMRKIUZLPNBJU-WCBMZHEXSA-N 0 1 268.317 0.438 10 0 CCAEMN CCOCC(=O)N1CCO[C@H](c2n[nH]c(CC)n2)C1 ZINC000173560724 351044882 /nfs/dbraw/zinc/04/48/82/351044882.db2.gz JBSQNZBLSKFQKI-VIFPVBQESA-N 0 1 268.317 0.304 10 0 CCAEMN CCc1nc([C@@H]2CN(C(=O)CCOC)CCO2)n[nH]1 ZINC000173577084 351045827 /nfs/dbraw/zinc/04/58/27/351045827.db2.gz DKNWRQRNNPDTDQ-VIFPVBQESA-N 0 1 268.317 0.304 10 0 CCAEMN C[C@@H]1CCCN(C(=O)CN2CC[C@H](N3CCOCC3)C2)C1 ZINC000173935402 351063116 /nfs/dbraw/zinc/06/31/16/351063116.db2.gz WTHLHGOBIOLJJM-CABCVRRESA-N 0 1 295.427 0.651 10 0 CCAEMN CCCCNC(=O)[C@H](C)N1CC[C@H](N2CCOCC2)C1 ZINC000173933552 351063516 /nfs/dbraw/zinc/06/35/16/351063516.db2.gz LGVABZIDCZVVHA-KBPBESRZSA-N 0 1 283.416 0.698 10 0 CCAEMN CCC(C)(C)NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173949009 351063620 /nfs/dbraw/zinc/06/36/20/351063620.db2.gz LTMXSHOPYMQISI-CYBMUJFWSA-N 0 1 283.416 0.698 10 0 CCAEMN CC(C)CCNC(=O)[C@@H](C)N1CC[C@H](N2CCOCC2)C1 ZINC000173933567 351063683 /nfs/dbraw/zinc/06/36/83/351063683.db2.gz XQOQEUOQPJQVGD-CABCVRRESA-N 0 1 297.443 0.944 10 0 CCAEMN Cc1ccc2nc(CNC(=O)[C@@H]3CNC(=O)C3)[nH]c2c1 ZINC000174881384 351108983 /nfs/dbraw/zinc/10/89/83/351108983.db2.gz FQWBUCOQVULVLK-VIFPVBQESA-N 0 1 272.308 0.624 10 0 CCAEMN CCOCCCNC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000175294244 351124878 /nfs/dbraw/zinc/12/48/78/351124878.db2.gz AEOGGTBUGDFPLZ-LLVKDONJSA-N 0 1 297.359 0.623 10 0 CCAEMN CC(C)[N@@H+](C)CC(=O)N[C@H]1CCCn2ncnc21 ZINC000176130863 351157701 /nfs/dbraw/zinc/15/77/01/351157701.db2.gz XPHQUHPHWLEJLN-JTQLQIEISA-N 0 1 251.334 0.569 10 0 CCAEMN CCN1CCC[C@@H]1CN(C)C(=O)CCCS(C)(=O)=O ZINC000177043264 351191811 /nfs/dbraw/zinc/19/18/11/351191811.db2.gz TXTJGECOPQLATJ-GFCCVEGCSA-N 0 1 290.429 0.754 10 0 CCAEMN CCNS(=O)(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000180934810 351294953 /nfs/dbraw/zinc/29/49/53/351294953.db2.gz GSFCRQQEAHYBBG-MRVPVSSYSA-N 0 1 259.335 0.186 10 0 CCAEMN Cc1nc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)no1 ZINC000181274431 351309688 /nfs/dbraw/zinc/30/96/88/351309688.db2.gz SFBBLVBDOGETSX-QMMMGPOBSA-N 0 1 262.273 0.864 10 0 CCAEMN CCOC(=O)NCC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181386526 351316281 /nfs/dbraw/zinc/31/62/81/351316281.db2.gz DUSODFVOKUWRTM-SECBINFHSA-N 0 1 281.316 0.604 10 0 CCAEMN C[C@@H](C(=O)N1CCC(C)CC1)N1C[C@H](O)C[C@@H]1CO ZINC000184726087 351421121 /nfs/dbraw/zinc/42/11/21/351421121.db2.gz USUPTBQMXKMSHA-YNEHKIRRSA-N 0 1 270.373 0.061 10 0 CCAEMN CCN1CCC[C@H](NS(=O)(=O)CCCCOC)C1 ZINC000186388169 351494050 /nfs/dbraw/zinc/49/40/50/351494050.db2.gz QXXLGOQKYCSILH-LBPRGKRZSA-N 0 1 278.418 0.817 10 0 CCAEMN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000188917572 351639792 /nfs/dbraw/zinc/63/97/92/351639792.db2.gz JLIFZFOOQPZGCK-ZJUUUORDSA-N 0 1 276.340 0.567 10 0 CCAEMN CCc1nc([C@@H]2CN(Cc3cocn3)CCO2)n[nH]1 ZINC000191919277 351778489 /nfs/dbraw/zinc/77/84/89/351778489.db2.gz OOLRPXQJPFRKJY-JTQLQIEISA-N 0 1 263.301 0.929 10 0 CCAEMN CC[C@H](O)CN1CCN([C@@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192604859 351791381 /nfs/dbraw/zinc/79/13/81/351791381.db2.gz HDNWASIUASFVRQ-STQMWFEESA-N 0 1 294.399 0.940 10 0 CCAEMN Cc1ccn(CC(=O)N2CCN3CCCC[C@@H]3C2)c(=O)c1 ZINC000194496835 351873106 /nfs/dbraw/zinc/87/31/06/351873106.db2.gz KNORUVLNCOCGTB-CQSZACIVSA-N 0 1 289.379 0.853 10 0 CCAEMN CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000194549500 351873846 /nfs/dbraw/zinc/87/38/46/351873846.db2.gz MQBGEKDXKUSFIE-IAQYHMDHSA-N 0 1 296.367 0.655 10 0 CCAEMN CCOC(=O)CCCNC(=O)CN1CC[C@@H](CCO)C1 ZINC000227571118 352054373 /nfs/dbraw/zinc/05/43/73/352054373.db2.gz DEFRUUIBIXAUGN-LBPRGKRZSA-N 0 1 286.372 0.150 10 0 CCAEMN Cn1ccc(N2CCC[C@H](N3CCC[C@@](C)(O)C3)C2=O)n1 ZINC000245836834 352339801 /nfs/dbraw/zinc/33/98/01/352339801.db2.gz ASMPWQBUMQKNKB-SWLSCSKDSA-N 0 1 292.383 0.762 10 0 CCAEMN C[C@@H](C(=O)Nc1ncccn1)N1CCN2CCCC[C@H]2C1 ZINC000246133069 352349206 /nfs/dbraw/zinc/34/92/06/352349206.db2.gz CPFUQKRZLFQTND-STQMWFEESA-N 0 1 289.383 0.974 10 0 CCAEMN C[C@H](CN1CCN2CCC[C@H]2C1)CS(C)(=O)=O ZINC000246590393 352374791 /nfs/dbraw/zinc/37/47/91/352374791.db2.gz POPLKPFVILUWFG-NEPJUHHUSA-N 0 1 260.403 0.447 10 0 CCAEMN C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246797704 352383103 /nfs/dbraw/zinc/38/31/03/352383103.db2.gz AVPKJAVCNSMUSY-DZGCQCFKSA-N 0 1 295.427 0.840 10 0 CCAEMN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2cnn(C)c2)C1 ZINC000246917004 352389006 /nfs/dbraw/zinc/38/90/06/352389006.db2.gz 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294.399 0.644 10 0 CCAEMN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)NC1CC1 ZINC000220410314 389139362 /nfs/dbraw/zinc/13/93/62/389139362.db2.gz CSFAGUYLERXMRO-BXUZGUMPSA-N 0 1 252.358 0.892 10 0 CCAEMN Cc1nc([C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)n[nH]1 ZINC000329753859 389196690 /nfs/dbraw/zinc/19/66/90/389196690.db2.gz WYTIGFUXPLLOKU-WDEREUQCSA-N 0 1 279.344 0.107 10 0 CCAEMN Cc1nc([C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)n[nH]1 ZINC000329753859 389196692 /nfs/dbraw/zinc/19/66/92/389196692.db2.gz WYTIGFUXPLLOKU-WDEREUQCSA-N 0 1 279.344 0.107 10 0 CCAEMN CCS(=O)(=O)NCCN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248217433 389244599 /nfs/dbraw/zinc/24/45/99/389244599.db2.gz ZWNPAPIPYXGLEL-QWHCGFSZSA-N 0 1 290.429 0.553 10 0 CCAEMN CCOCCN1CCN(C[C@@H](O)C(F)(F)F)C[C@@H]1C ZINC000248393681 389245212 /nfs/dbraw/zinc/24/52/12/389245212.db2.gz GZUAAGWHTUBJRC-WDEREUQCSA-N 0 1 284.322 0.952 10 0 CCAEMN Cc1cc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc(=O)[nH]1 ZINC000245559907 389211836 /nfs/dbraw/zinc/21/18/36/389211836.db2.gz IJSGFAZKPHRLPG-NEPJUHHUSA-N 0 1 293.367 0.623 10 0 CCAEMN CC[C@H]1CN(Cc2nc(COC)no2)CCN1C[C@H](C)O ZINC000245610873 389214334 /nfs/dbraw/zinc/21/43/34/389214334.db2.gz VFPHYDKWFIWFBP-RYUDHWBXSA-N 0 1 298.387 0.493 10 0 CCAEMN COC[C@H](O)CN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000346082685 389322014 /nfs/dbraw/zinc/32/20/14/389322014.db2.gz XKCUMESCEJWQKO-SYQHCUMBSA-N 0 1 273.373 0.246 10 0 CCAEMN CC[N@@H+]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000408486400 389367129 /nfs/dbraw/zinc/36/71/29/389367129.db2.gz SLLLUXXEJYNERS-NSHDSACASA-N 0 1 274.386 0.859 10 0 CCAEMN CC[N@H+]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000408486400 389367134 /nfs/dbraw/zinc/36/71/34/389367134.db2.gz SLLLUXXEJYNERS-NSHDSACASA-N 0 1 274.386 0.859 10 0 CCAEMN CCC[C@H](C(=O)N1CC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC000162302218 389417343 /nfs/dbraw/zinc/41/73/43/389417343.db2.gz MEXDWEPOHHLENL-HUUCEWRRSA-N 0 1 297.443 0.897 10 0 CCAEMN O=C(N[C@@H]1CCCNC1=O)[C@H]1CCCc2[nH]ncc21 ZINC000332916723 389391822 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C[C@@H]1C[N@@H+]([C@@H]2CCCCN(CC(=O)[O-])C2=O)C[C@H](C)O1 ZINC000643871606 390589410 /nfs/dbraw/zinc/58/94/10/390589410.db2.gz BPGOHWFXPFJWBZ-GRYCIOLGSA-N 0 1 284.356 0.561 10 0 CCAEMN C[C@H]1CCC[N@H+]1[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643873746 390590986 /nfs/dbraw/zinc/59/09/86/390590986.db2.gz GFAUEMKUNFPONO-QWRGUYRKSA-N 0 1 254.330 0.936 10 0 CCAEMN CN(C)S(=O)(=O)Nc1cccc(F)c1-c1nc[nH]n1 ZINC000373211689 144396664 /nfs/dbraw/zinc/39/66/64/144396664.db2.gz VZTXTFXWSHYUNK-UHFFFAOYSA-N 0 1 285.304 0.829 10 0 CCAEMN NS(=O)(=O)N[C@@H]1c2c(cc(F)cc2F)CC1(F)F ZINC000584647389 397583716 /nfs/dbraw/zinc/58/37/16/397583716.db2.gz ZDUAYVUFBARRPR-MRVPVSSYSA-N 0 1 284.234 0.990 10 0 CCAEMN CO[C@]1(C)CCCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000375475376 286158508 /nfs/dbraw/zinc/15/85/08/286158508.db2.gz KKYXNJRMSUJFSX-IINYFYTJSA-N 0 1 278.356 0.937 10 0 CCAEMN CO[C@]1(C)CCCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000375475376 286158510 /nfs/dbraw/zinc/15/85/10/286158510.db2.gz KKYXNJRMSUJFSX-IINYFYTJSA-N 0 1 278.356 0.937 10 0 CCAEMN CCN(CC)S(=O)(=O)C[C@H](N)c1ccncc1 ZINC000757152381 581697059 /nfs/dbraw/zinc/69/70/59/581697059.db2.gz LBJVNZILOWVARC-NSHDSACASA-N 0 1 257.359 0.753 10 0 CCAEMN C[C@@H](O)CN1CCN(C(=O)CC(C)(C)O)C[C@@H]1C ZINC000408287798 287088045 /nfs/dbraw/zinc/08/80/45/287088045.db2.gz UBBSUTCBJOGUNI-WDEREUQCSA-N 0 1 258.362 0.061 10 0 CCAEMN C[C@@H](O)CN1CCN(C(=O)CC2(O)CCCCC2)C[C@H]1C ZINC000173290053 287088537 /nfs/dbraw/zinc/08/85/37/287088537.db2.gz DYLPTVWDGJUNDF-ZIAGYGMSSA-N 0 1 298.427 0.985 10 0 CCAEMN Cn1c2ccccc2nc1N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000284704729 196115296 /nfs/dbraw/zinc/11/52/96/196115296.db2.gz YZGPQXPMOZQZMC-CQSZACIVSA-N 0 1 284.323 0.789 10 0 CCAEMN C[C@H]1C[NH+](CCn2cc(C(=O)[O-])nn2)C[C@H](C)O1 ZINC000020596782 171265777 /nfs/dbraw/zinc/26/57/77/171265777.db2.gz JEYMOKKMVDWLHW-IUCAKERBSA-N 0 1 254.290 0.086 10 0 CCAEMN CCCNC(=O)CN[C@H](C)C(=O)N[C@@H](C)CCC ZINC000035207106 172052275 /nfs/dbraw/zinc/05/22/75/172052275.db2.gz RBVLLATYVHLWMX-WDEREUQCSA-N 0 1 257.378 0.796 10 0 CCAEMN C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000035300359 172114167 /nfs/dbraw/zinc/11/41/67/172114167.db2.gz OJKZIGWODZLVAY-WDEREUQCSA-N 0 1 254.330 0.936 10 0 CCAEMN C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000035300359 172114170 /nfs/dbraw/zinc/11/41/70/172114170.db2.gz OJKZIGWODZLVAY-WDEREUQCSA-N 0 1 254.330 0.936 10 0 CCAEMN C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000035300363 172114530 /nfs/dbraw/zinc/11/45/30/172114530.db2.gz OJKZIGWODZLVAY-GHMZBOCLSA-N 0 1 254.330 0.936 10 0 CCAEMN C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000035300363 172114531 /nfs/dbraw/zinc/11/45/31/172114531.db2.gz OJKZIGWODZLVAY-GHMZBOCLSA-N 0 1 254.330 0.936 10 0 CCAEMN Cc1ccc(CN(C)C(=O)[C@H](N)CCS(C)(=O)=O)o1 ZINC000035660279 172337363 /nfs/dbraw/zinc/33/73/63/172337363.db2.gz AHIFGZHUELQMDV-LLVKDONJSA-N 0 1 288.369 0.308 10 0 CCAEMN Cc1cccc(C(=O)N2CC[NH+](CC(=O)[O-])CC2)n1 ZINC000035680308 172351913 /nfs/dbraw/zinc/35/19/13/172351913.db2.gz VYRATJZBUAAEHO-UHFFFAOYSA-N 0 1 263.297 0.232 10 0 CCAEMN Cc1nn(C)c(Cl)c1CN1CC[C@](O)(c2c[nH]nn2)C1 ZINC000285629333 196348861 /nfs/dbraw/zinc/34/88/61/196348861.db2.gz WKIUNWMFYPTHKD-GFCCVEGCSA-N 0 1 296.762 0.594 10 0 CCAEMN CCC[C@H](C)N(C)C(=O)[C@H](N)CCS(C)(=O)=O ZINC000037505082 173240883 /nfs/dbraw/zinc/24/08/83/173240883.db2.gz RMZICXXIEKCYTC-VHSXEESVSA-N 0 1 264.391 0.395 10 0 CCAEMN CN1CC[C@H](Nc2ccccc2S(N)(=O)=O)C1 ZINC000042548051 174787929 /nfs/dbraw/zinc/78/79/29/174787929.db2.gz BKGQKCHURAWDOU-VIFPVBQESA-N 0 1 255.343 0.450 10 0 CCAEMN COC[C@H](N)C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000663004600 414945380 /nfs/dbraw/zinc/94/53/80/414945380.db2.gz NETACLDOEHIPCX-FYBVGQRMSA-N 0 1 266.288 0.231 10 0 CCAEMN CCC[C@@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)C(=O)[O-] ZINC000071192191 176073360 /nfs/dbraw/zinc/07/33/60/176073360.db2.gz LQLVNNVCRVYYIM-GHMZBOCLSA-N 0 1 271.361 0.833 10 0 CCAEMN NC(=O)CN1CC[C@H](Cc2cccc(C(N)=O)c2)C1 ZINC000072163635 176330414 /nfs/dbraw/zinc/33/04/14/176330414.db2.gz WIDMXOUZZMGFAI-LLVKDONJSA-N 0 1 261.325 0.135 10 0 CCAEMN CNC(=O)c1cnn2c1nccc2[C@H]1CCCN1C ZINC000072379281 176385938 /nfs/dbraw/zinc/38/59/38/176385938.db2.gz IBLLNLKAXUJYDA-SNVBAGLBSA-N 0 1 259.313 0.856 10 0 CCAEMN CCCN1CCC2(CC1)C(=O)CS(=O)(=O)N2CC ZINC000725256570 545880319 /nfs/dbraw/zinc/88/03/19/545880319.db2.gz VNDRETNWXWVZBG-UHFFFAOYSA-N 0 1 274.386 0.465 10 0 CCAEMN CNCc1nnn(Cc2ccnn2C)c1C(F)F ZINC000725257213 545880574 /nfs/dbraw/zinc/88/05/74/545880574.db2.gz JHOJPGWCAAHHRS-UHFFFAOYSA-N 0 1 256.260 0.717 10 0 CCAEMN CC[C@H]1CN(C(=O)NC2CCOCC2)CCN1C[C@@H](C)O ZINC000153346963 544663375 /nfs/dbraw/zinc/66/33/75/544663375.db2.gz ILWMUBORQRMBLH-OCCSQVGLSA-N 0 1 299.415 0.652 10 0 CCAEMN CNC(=O)[C@H](NCC(=O)NCc1ccco1)C(C)C ZINC000183632748 544767492 /nfs/dbraw/zinc/76/74/92/544767492.db2.gz WLBDBDMDHZNBKI-GFCCVEGCSA-N 0 1 267.329 0.256 10 0 CCAEMN CCN1CCO[C@@H](CNC(=O)c2ccc(F)cc2O)C1 ZINC000228310539 544843574 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/nfs/dbraw/zinc/11/29/15/350112915.db2.gz FCFAIPYPLQGLED-QWRGUYRKSA-N 0 1 294.355 0.836 10 0 CCAEMN Cc1coc(-c2cccc(NC(=O)CNC(=O)CN)c2)n1 ZINC000125055495 350113000 /nfs/dbraw/zinc/11/30/00/350113000.db2.gz NWTCSLSEKAZZGZ-UHFFFAOYSA-N 0 1 288.307 0.663 10 0 CCAEMN CS(=O)(=O)c1nsc(Nc2ccncc2)c1C(N)=O ZINC000090585395 180009701 /nfs/dbraw/zinc/00/97/01/180009701.db2.gz CPQQMTFKDJNSIZ-UHFFFAOYSA-N 0 1 298.349 0.784 10 0 CCAEMN C[C@H](NC(=O)N1CCN2CCCC[C@@H]2C1)c1nncn1C ZINC000105064443 186039249 /nfs/dbraw/zinc/03/92/49/186039249.db2.gz WLOSQDQNLMCOBX-NWDGAFQWSA-N 0 1 292.387 0.756 10 0 CCAEMN CC(C)NS(=O)(=O)[C@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000134319993 350360841 /nfs/dbraw/zinc/36/08/41/350360841.db2.gz SRRSPHZAGUCDEB-RYUDHWBXSA-N 0 1 276.402 0.568 10 0 CCAEMN CC(C)NS(=O)(=O)[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC000134324505 350360883 /nfs/dbraw/zinc/36/08/83/350360883.db2.gz GUKQEYZANXRWDY-STQMWFEESA-N 0 1 290.429 0.958 10 0 CCAEMN O=S(=O)([C@@H]1CCN(CCCF)C1)N1CCCC1 ZINC000135683321 350406576 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/nfs/dbraw/zinc/93/10/63/350931063.db2.gz LJDQTQZLYWURPX-LLVKDONJSA-N 0 1 274.386 0.118 10 0 CCAEMN CC[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)CCN1CCOC ZINC000172320759 350976699 /nfs/dbraw/zinc/97/66/99/350976699.db2.gz MZSNXHHBEAWBKF-KGLIPLIRSA-N 0 1 299.415 0.918 10 0 CCAEMN CC[C@H]1CN(C(=O)NC[C@@H]2CCCO2)CCN1CCOC ZINC000172320765 350976783 /nfs/dbraw/zinc/97/67/83/350976783.db2.gz MZSNXHHBEAWBKF-KBPBESRZSA-N 0 1 299.415 0.918 10 0 CCAEMN CO[C@H](C)C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173523926 351042896 /nfs/dbraw/zinc/04/28/96/351042896.db2.gz ZRUWRJUDKZDBLA-APPZFPTMSA-N 0 1 254.290 0.048 10 0 CCAEMN Cc1nc([C@@H]2CN(C(=O)CC(F)(F)F)CCO2)n[nH]1 ZINC000173537539 351043550 /nfs/dbraw/zinc/04/35/50/351043550.db2.gz MGBPIXQWBQXICF-ZETCQYMHSA-N 0 1 278.234 0.965 10 0 CCAEMN CCc1nc([C@@H]2CN(C(=O)c3cnsn3)CCO2)n[nH]1 ZINC000173572609 351045958 /nfs/dbraw/zinc/04/59/58/351045958.db2.gz YWVIVMAIRAWEND-QMMMGPOBSA-N 0 1 294.340 0.432 10 0 CCAEMN CCCS(=O)(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1 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O=C(N[C@H]1CCCC[C@@H]1CO)c1[nH]nc2c1CNCC2 ZINC000188987002 351644814 /nfs/dbraw/zinc/64/48/14/351644814.db2.gz SABFYAAJNPISHQ-KOLCDFICSA-N 0 1 278.356 0.336 10 0 CCAEMN CC(C)(C)C(=O)NCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195085837 351896507 /nfs/dbraw/zinc/89/65/07/351896507.db2.gz MUUMNRSBOFEEMB-GFCCVEGCSA-N 0 1 281.400 0.845 10 0 CCAEMN CCn1cc(C2CCN([C@@H](C)C(=O)NC(N)=O)CC2)cn1 ZINC000195500247 351915537 /nfs/dbraw/zinc/91/55/37/351915537.db2.gz OWXHKPBWWQXBRM-JTQLQIEISA-N 0 1 293.371 0.666 10 0 CCAEMN CN(C)C(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000195515677 351915967 /nfs/dbraw/zinc/91/59/67/351915967.db2.gz LZHQHPFRZIJIQZ-GFCCVEGCSA-N 0 1 262.357 0.904 10 0 CCAEMN C[C@H](C(=O)[O-])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000229360443 352091069 /nfs/dbraw/zinc/09/10/69/352091069.db2.gz AQCVPVKWXZMBJH-GARJFASQSA-N 0 1 254.330 0.792 10 0 CCAEMN Cc1nc([C@H]2CN([C@H]3CCN(C(C)C)C3=O)CCO2)n[nH]1 ZINC000245476244 352325479 /nfs/dbraw/zinc/32/54/79/352325479.db2.gz SRYLEKCGDMPQFS-NWDGAFQWSA-N 0 1 293.371 0.496 10 0 CCAEMN Cn1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c(=O)n(C)c1=O ZINC000245545181 352328596 /nfs/dbraw/zinc/32/85/96/352328596.db2.gz SXSVZJUOIZNNGD-CHWSQXEVSA-N 0 1 293.367 0.227 10 0 CCAEMN Cn1cc(CN2CCO[C@@H]3CCCC[C@H]32)c(=O)n(C)c1=O ZINC000245545181 352328598 /nfs/dbraw/zinc/32/85/98/352328598.db2.gz SXSVZJUOIZNNGD-CHWSQXEVSA-N 0 1 293.367 0.227 10 0 CCAEMN CCN1CCO[C@@H](C(=O)N2CCCC[C@H]2c2nnc[nH]2)C1 ZINC000245614151 352331049 /nfs/dbraw/zinc/33/10/49/352331049.db2.gz OWBDWTPWEUEZGG-NWDGAFQWSA-N 0 1 293.371 0.579 10 0 CCAEMN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCOCCO ZINC000246122573 352349378 /nfs/dbraw/zinc/34/93/78/352349378.db2.gz AFKIMHSPGQWBMO-UPJWGTAASA-N 0 1 271.357 0.801 10 0 CCAEMN CCCc1cc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)n[nH]1 ZINC000246830038 352384875 /nfs/dbraw/zinc/38/48/75/352384875.db2.gz TWJHKXHEXLVBRL-RYUDHWBXSA-N 0 1 294.399 0.889 10 0 CCAEMN C[C@H](O)CN1CC[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1C ZINC000247061738 352396911 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ZINC000299744164 354043672 /nfs/dbraw/zinc/04/36/72/354043672.db2.gz NSEHQIXVIAIDFI-RNFRBKRXSA-N 0 1 291.277 0.463 10 0 CCAEMN CCCCOC[C@H](O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000300298579 354064202 /nfs/dbraw/zinc/06/42/02/354064202.db2.gz MZLUUIINLMRASK-TUAOUCFPSA-N 0 1 259.346 0.959 10 0 CCAEMN NC(=O)[C@@H](O)C1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000299745690 354044405 /nfs/dbraw/zinc/04/44/05/354044405.db2.gz RVSJFPANITVJDI-KGLIPLIRSA-N 0 1 296.342 0.417 10 0 CCAEMN C[C@@H](c1cnn(C)c1)N(C)C[C@H](O)CN1CCOCC1 ZINC000305809051 354163360 /nfs/dbraw/zinc/16/33/60/354163360.db2.gz IFFBWZLXQFPTDQ-JSGCOSHPSA-N 0 1 282.388 0.106 10 0 CCAEMN CCn1cc([C@@H]2CN(C(=O)[C@H]3CCCN3C)CCO2)cn1 ZINC000330072214 354290923 /nfs/dbraw/zinc/29/09/23/354290923.db2.gz JLXQRHLZVZYGPS-KGLIPLIRSA-N 0 1 292.383 0.897 10 0 CCAEMN O=C([C@H]1CCc2n[nH]nc2C1)N1CCN2CCCC[C@@H]2C1 ZINC000328800568 202064312 /nfs/dbraw/zinc/06/43/12/202064312.db2.gz YNFVVILWXRSLNQ-NWDGAFQWSA-N 0 1 289.383 0.606 10 0 CCAEMN 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ZINC000404087203 411791128 /nfs/dbraw/zinc/79/11/28/411791128.db2.gz VCBKKXGSJBMIII-DTWKUNHWSA-N 0 1 282.262 0.155 10 0 CCAEMN CS(=O)(=O)NCCN[C@@H]1CCOc2ccccc21 ZINC000020203590 171068242 /nfs/dbraw/zinc/06/82/42/171068242.db2.gz ZYWJDHCYVKEBFV-LLVKDONJSA-N 0 1 270.354 0.649 10 0 CCAEMN N[C@@H]1CCCCN1S(=O)(=O)N1CCCCCC1 ZINC000020256092 171110383 /nfs/dbraw/zinc/11/03/83/171110383.db2.gz BYSJDKOZCDVEGV-NSHDSACASA-N 0 1 261.391 0.878 10 0 CCAEMN CNC(=O)NC(=O)[C@@H](C)NCc1ccc(F)cc1 ZINC000020302914 171140577 /nfs/dbraw/zinc/14/05/77/171140577.db2.gz QNFQFJBEPKQRCB-MRVPVSSYSA-N 0 1 253.277 0.759 10 0 CCAEMN C[C@@H](C(=O)Nc1ccccc1N)N1CCC[C@@H](C(N)=O)C1 ZINC000022219302 171377197 /nfs/dbraw/zinc/37/71/97/171377197.db2.gz OWNSCHOROIKUTD-WDEREUQCSA-N 0 1 290.367 0.793 10 0 CCAEMN COc1cc(CN[C@@H](C)C(N)=O)cc(OC)c1O ZINC000035148775 172010989 /nfs/dbraw/zinc/01/09/89/172010989.db2.gz FHYYAIVVACWPBO-ZETCQYMHSA-N 0 1 254.286 0.373 10 0 CCAEMN Cc1cccc(N)c1S(=O)(=O)NCCN(C)C ZINC000035346785 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ZINC000715301244 977733315 /nfs/dbraw/zinc/73/33/15/977733315.db2.gz JECKUMLJITYIOU-DDHJBXDOSA-N 0 1 281.356 0.633 10 0 CCAEMN O=C([O-])[C@]12C[N@@H+](CCOCC(F)(F)F)C[C@H]1COCC2 ZINC000715781559 977784573 /nfs/dbraw/zinc/78/45/73/977784573.db2.gz QLQFYGKQMHWGTJ-GXSJLCMTSA-N 0 1 297.273 0.988 10 0 CCAEMN C[C@@H]1CN(C(=O)NC2CC(CC(=O)[O-])C2)C[C@H](C)[N@@H+]1C ZINC000718046793 977933540 /nfs/dbraw/zinc/93/35/40/977933540.db2.gz ARJOVWVOFKLQSN-ZYANWLCNSA-N 0 1 283.372 0.974 10 0 CCAEMN C[C@H](CN1CCOCC1)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000720009168 978020723 /nfs/dbraw/zinc/02/07/23/978020723.db2.gz BSIQECQFEYDWEG-FRRDWIJNSA-N 0 1 270.373 0.750 10 0 CCAEMN O=C([O-])[C@]12C[N@@H+](Cc3ccon3)C[C@H]1COCC2 ZINC000720408868 978032212 /nfs/dbraw/zinc/03/22/12/978032212.db2.gz YNKYFBMKRHIJHU-JOYOIKCWSA-N 0 1 252.270 0.598 10 0 CCAEMN O=C([O-])[C@@]1(O)CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000720762421 978063319 /nfs/dbraw/zinc/06/33/19/978063319.db2.gz LZMDAMXNUXVOHW-CQSZACIVSA-N 0 1 263.293 0.643 10 0 CCAEMN C[N@H+]1CCC[C@H]2[C@H]1CCN2c1cncc(C(=O)[O-])n1 ZINC000720868770 978072261 /nfs/dbraw/zinc/07/22/61/978072261.db2.gz HBCFIWFXUPXPGS-MNOVXSKESA-N 0 1 262.313 0.848 10 0 CCAEMN C[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000724589037 978231807 /nfs/dbraw/zinc/23/18/07/978231807.db2.gz DALUNNVRPOSBRT-LDMBFOFVSA-N 0 1 255.314 0.585 10 0 CCAEMN Cn1ncc(C(=O)[O-])c1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000725231362 978282258 /nfs/dbraw/zinc/28/22/58/978282258.db2.gz DZYJMVORYCYPLZ-QMMMGPOBSA-N 0 1 281.316 0.334 10 0 CCAEMN CCN1C[C@H](C[N@H+]2CCSC[C@H]2C(=O)[O-])OC1=O ZINC000821927497 978927370 /nfs/dbraw/zinc/92/73/70/978927370.db2.gz OPKXRDKWJZWLED-BDAKNGLRSA-N 0 1 274.342 0.329 10 0 CCAEMN C[C@@H]1CNCCN1C(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000124536013 187141808 /nfs/dbraw/zinc/14/18/08/187141808.db2.gz GMCDHRRBKHCTCA-NXEZZACHSA-N 0 1 296.396 0.668 10 0 CCAEMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1(C(=O)[O-])CC1 ZINC000092666447 349501788 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278.356 0.577 10 0 CCAEMN O=C(C1CCN(c2ncccn2)CC1)N1CCNCC1 ZINC000034460592 348150512 /nfs/dbraw/zinc/15/05/12/348150512.db2.gz XTTYPNAXDCSZQM-UHFFFAOYSA-N 0 1 275.356 0.125 10 0 CCAEMN C[C@H](N[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCCCCC1 ZINC000034937543 348152684 /nfs/dbraw/zinc/15/26/84/348152684.db2.gz LAFYTHXXIUBVNW-NWDGAFQWSA-N 0 1 288.413 0.554 10 0 CCAEMN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNCC1 ZINC000058040691 348620645 /nfs/dbraw/zinc/62/06/45/348620645.db2.gz GQMAOEVQPOCOFU-NSHDSACASA-N 0 1 285.388 0.968 10 0 CCAEMN O=C(Nc1cccnc1)C(=O)N1CCCN(C2CC2)CC1 ZINC000064305209 348698523 /nfs/dbraw/zinc/69/85/23/348698523.db2.gz WYRIKBQXIGOLKT-UHFFFAOYSA-N 0 1 288.351 0.717 10 0 CCAEMN CC(C)(C)OC(=O)N[C@@H](CC[NH+]1CCOCC1)C(=O)[O-] ZINC000069553924 348852078 /nfs/dbraw/zinc/85/20/78/348852078.db2.gz BLNOXIFMIUCNJJ-JTQLQIEISA-N 0 1 288.344 0.687 10 0 CCAEMN COCCCSCc1nc2c(cnn2C)c(NN)n1 ZINC000104431584 186000408 /nfs/dbraw/zinc/00/04/08/186000408.db2.gz MGOBGVZIVZLWAX-UHFFFAOYSA-N 0 1 282.373 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CCAEMN COC[C@@H](N)C(=O)N[C@H](CC(=O)OC)c1cccs1 ZINC000167802012 350814493 /nfs/dbraw/zinc/81/44/93/350814493.db2.gz ZBFFCUQTCNRUFD-RKDXNWHRSA-N 0 1 286.353 0.442 10 0 CCAEMN O=c1[nH]cnc(NC2(CO)CC2)c1Br ZINC000165965642 350794405 /nfs/dbraw/zinc/79/44/05/350794405.db2.gz DXMFPVXIEWDXNZ-UHFFFAOYSA-N 0 1 260.091 0.469 10 0 CCAEMN CCn1cc(CN2CCCN(C(=O)CN(C)C)CC2)cn1 ZINC000171599257 350919255 /nfs/dbraw/zinc/91/92/55/350919255.db2.gz HJNKXRSUFXHBBC-UHFFFAOYSA-N 0 1 293.415 0.499 10 0 CCAEMN Cc1cnn([C@H]2CCCN(C(=O)CN(C)C)C2)c1 ZINC000171604528 350920353 /nfs/dbraw/zinc/92/03/53/350920353.db2.gz DUWLSIXEOGFILH-LBPRGKRZSA-N 0 1 250.346 0.917 10 0 CCAEMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C)CCO2)n[nH]1 ZINC000173542883 351043737 /nfs/dbraw/zinc/04/37/37/351043737.db2.gz RNULXVPSCNFBEM-SFGNSQDASA-N 0 1 250.302 0.669 10 0 CCAEMN Cc1nc([C@H]2CN(C(=O)c3cnsn3)CCO2)n[nH]1 ZINC000173539974 351044132 /nfs/dbraw/zinc/04/41/32/351044132.db2.gz SQOFYRCOKGZACH-MRVPVSSYSA-N 0 1 280.313 0.178 10 0 CCAEMN 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/nfs/dbraw/zinc/72/48/86/349724886.db2.gz RDMXMYWTOFWUOH-AWEZNQCLSA-N 0 1 283.416 0.650 10 0 CCAEMN CCN(CC)C(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105823639 349725490 /nfs/dbraw/zinc/72/54/90/349725490.db2.gz ORUCUPVTZYPNNN-MCIONIFRSA-N 0 1 285.432 0.630 10 0 CCAEMN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)C(=O)NC(N)=O ZINC000105894723 349728076 /nfs/dbraw/zinc/72/80/76/349728076.db2.gz SRDJMAANGZODSX-WDEREUQCSA-N 0 1 293.371 0.757 10 0 CCAEMN CCn1cnnc1C1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000105929538 349729504 /nfs/dbraw/zinc/72/95/04/349729504.db2.gz BXBURSSAXNTPOP-NSHDSACASA-N 0 1 279.388 0.954 10 0 CCAEMN CCC(CC)NC(=O)[C@H](C)N1C[C@H](O)C[C@@H]1CO ZINC000184736616 282210950 /nfs/dbraw/zinc/21/09/50/282210950.db2.gz AYUQAANLRLVNCX-MVWJERBFSA-N 0 1 258.362 0.107 10 0 CCAEMN CN(C)CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000127828842 136386644 /nfs/dbraw/zinc/38/66/44/136386644.db2.gz PKHMWCIGSQBZNW-LBPRGKRZSA-N 0 1 277.372 0.465 10 0 CCAEMN C[C@H](O)C(=O)N1CCN(CC2(O)CCC(C)CC2)CC1 ZINC000305751864 290065533 /nfs/dbraw/zinc/06/55/33/290065533.db2.gz ZXQOEWOIOJKUNC-OWYJLGKBSA-N 0 1 284.400 0.453 10 0 CCAEMN CCCNC(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116320107 349867512 /nfs/dbraw/zinc/86/75/12/349867512.db2.gz SOFYNNNQAJZRBG-LLVKDONJSA-N 0 1 250.346 0.736 10 0 CCAEMN C[C@H](NC(=O)N1CCN(CC(C)(C)O)CC1)[C@@H]1CCCO1 ZINC000151385947 299105570 /nfs/dbraw/zinc/10/55/70/299105570.db2.gz HIQGZAQWPSAIRO-STQMWFEESA-N 0 1 299.415 0.652 10 0 CCAEMN C[C@@H]1SCC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)[C@H]1C ZINC000118534347 349903665 /nfs/dbraw/zinc/90/36/65/349903665.db2.gz RVJLEJKCTRDJKV-SRVKXCTJSA-N 0 1 299.440 0.536 10 0 CCAEMN C[C@@H]1SCCN(CC(=O)N2CCC[C@H](C(N)=O)C2)[C@H]1C ZINC000118534347 349903667 /nfs/dbraw/zinc/90/36/67/349903667.db2.gz RVJLEJKCTRDJKV-SRVKXCTJSA-N 0 1 299.440 0.536 10 0 CCAEMN O=C(CN[C@@H]1CCc2c1cccc2O)N1CCOCC1 ZINC000296586490 232003294 /nfs/dbraw/zinc/00/32/94/232003294.db2.gz FEFXWSPSMNTQRJ-CYBMUJFWSA-N 0 1 276.336 0.828 10 0 CCAEMN O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1C[C@H](F)CN1 ZINC000188710687 136920541 /nfs/dbraw/zinc/92/05/41/136920541.db2.gz NOHYWDUOCCPSRW-WCQYABFASA-N 0 1 289.314 0.965 10 0 CCAEMN O=C(C[C@@H]1COCCN1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000262323903 137038133 /nfs/dbraw/zinc/03/81/33/137038133.db2.gz DBFVRTVLHLUOEP-MCIONIFRSA-N 0 1 292.383 0.862 10 0 CCAEMN Cc1cnc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)nc1C ZINC000270775934 137069378 /nfs/dbraw/zinc/06/93/78/137069378.db2.gz NCIOCIHKUVOOCZ-NWDGAFQWSA-N 0 1 264.373 0.985 10 0 CCAEMN Nc1nc(S(=O)(=O)CCCOc2ccccc2)n[nH]1 ZINC000008015855 348009470 /nfs/dbraw/zinc/00/94/70/348009470.db2.gz FEABJRGLDYHRLR-UHFFFAOYSA-N 0 1 282.325 0.630 10 0 CCAEMN COc1cc(/C=C/C(=O)N2CCNCC2)ccc1O ZINC000019684086 348067408 /nfs/dbraw/zinc/06/74/08/348067408.db2.gz SOMVQCAHZMOHHP-HWKANZROSA-N 0 1 262.309 0.846 10 0 CCAEMN O=C([O-])[C@H](Cc1cnc[nH]1)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000032226751 348131959 /nfs/dbraw/zinc/13/19/59/348131959.db2.gz SHCKXBYLFVNYCV-VWYCJHECSA-N 0 1 253.302 0.299 10 0 CCAEMN CC(C)(C)OC(=O)NN1CC[NH+](CC(=O)[O-])CC1 ZINC000253569728 352537562 /nfs/dbraw/zinc/53/75/62/352537562.db2.gz MSGQGNMTHIMSIO-UHFFFAOYSA-N 0 1 259.306 0.128 10 0 CCAEMN CCOC(=O)c1cccnc1NCC(=O)N1CCNCC1 ZINC000037716292 348199327 /nfs/dbraw/zinc/19/93/27/348199327.db2.gz XDJQTWYLSWPHBB-UHFFFAOYSA-N 0 1 292.339 0.102 10 0 CCAEMN C[C@@H](NC(=O)c1cnn[nH]1)c1ccc(S(C)(=O)=O)cc1 ZINC000049315330 348448372 /nfs/dbraw/zinc/44/83/72/348448372.db2.gz IXOVIULGDYEDIE-MRVPVSSYSA-N 0 1 294.336 0.699 10 0 CCAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000062965216 348673760 /nfs/dbraw/zinc/67/37/60/348673760.db2.gz RBKRWEFRYKRJBG-NSHDSACASA-N 0 1 269.370 0.593 10 0 CCAEMN COCCCNC(=O)[C@H](C)N[C@H](CO)c1ccccc1 ZINC000063002789 348675122 /nfs/dbraw/zinc/67/51/22/348675122.db2.gz SEOCWCBOHQPQLT-GXTWGEPZSA-N 0 1 280.368 0.851 10 0 CCAEMN CC(C)[C@H](CNC(=O)N[C@@H]1C[C@@H]1C)N1CCN(C)CC1 ZINC000076055801 349066593 /nfs/dbraw/zinc/06/65/93/349066593.db2.gz RWZSNYDHLGMDFH-MJBXVCDLSA-N 0 1 282.432 0.966 10 0 CCAEMN CCOCCNC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000079595619 349184681 /nfs/dbraw/zinc/18/46/81/349184681.db2.gz KWXSWWZGQLAEGI-CYBMUJFWSA-N 0 1 299.415 0.918 10 0 CCAEMN CC(C)S(=O)(=O)CCN1CCCC[C@H](CO)C1 ZINC000370166669 535092610 /nfs/dbraw/zinc/09/26/10/535092610.db2.gz FMOFVIUCBPFPID-LBPRGKRZSA-N 0 1 263.403 0.904 10 0 CCAEMN Cc1nc2ccc(NC(=O)[C@H]3COCCN3)cc2[nH]1 ZINC000088358998 349361915 /nfs/dbraw/zinc/36/19/15/349361915.db2.gz FAICUUFJDRVSGC-GFCCVEGCSA-N 0 1 260.297 0.798 10 0 CCAEMN CCS(=O)(=O)NCCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000121706480 350051915 /nfs/dbraw/zinc/05/19/15/350051915.db2.gz VQVPAHMIDZLYQC-SNVBAGLBSA-N 0 1 287.389 0.271 10 0 CCAEMN COC(=O)CNC(=O)CCN1CCCC[C@H]1c1nnc[nH]1 ZINC000121709047 350052956 /nfs/dbraw/zinc/05/29/56/350052956.db2.gz FJODJJSBYAJQFV-JTQLQIEISA-N 0 1 295.343 0.011 10 0 CCAEMN O=C([O-])c1cnc(N2CC[N@H+]3CCCC[C@@H]3C2)nc1 ZINC000126500250 350147769 /nfs/dbraw/zinc/14/77/69/350147769.db2.gz FGAYLPIDRSPKGO-LLVKDONJSA-N 0 1 262.313 0.849 10 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CCOCCN1CCN(CC(=O)NCC2CC2)C[C@@H]1CC ZINC000105838123 186075868 /nfs/dbraw/zinc/07/58/68/186075868.db2.gz UWBXDPGQGHAXRS-HNNXBMFYSA-N 0 1 297.443 0.945 10 0 CCAEMN CC[C@@H](O)CN1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000106387017 186112886 /nfs/dbraw/zinc/11/28/86/186112886.db2.gz HUANZFZUVIDTKE-ZIAGYGMSSA-N 0 1 288.432 0.551 10 0 CCAEMN CN([C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(N)cc1 ZINC000149341342 350478041 /nfs/dbraw/zinc/47/80/41/350478041.db2.gz NBAROLKHNHWARQ-NSHDSACASA-N 0 1 269.370 0.593 10 0 CCAEMN CN([C@H]1CCN(C)C1)S(=O)(=O)c1ccc(N)cc1 ZINC000149341342 350478045 /nfs/dbraw/zinc/47/80/45/350478045.db2.gz NBAROLKHNHWARQ-NSHDSACASA-N 0 1 269.370 0.593 10 0 CCAEMN CCC[C@@H](C(=O)NCC(=O)NCC(F)(F)F)N(C)C ZINC000161652886 350726689 /nfs/dbraw/zinc/72/66/89/350726689.db2.gz QKUJIYYVUHECRO-QMMMGPOBSA-N 0 1 283.294 0.511 10 0 CCAEMN Cc1nc([C@@H]2CN(C(=O)c3cnsn3)CCO2)n[nH]1 ZINC000173539965 351043963 /nfs/dbraw/zinc/04/39/63/351043963.db2.gz SQOFYRCOKGZACH-QMMMGPOBSA-N 0 1 280.313 0.178 10 0 CCAEMN CCc1nc([C@H]2CN(C(=O)[C@@H]3CCCOC3)CCO2)n[nH]1 ZINC000173554039 351045016 /nfs/dbraw/zinc/04/50/16/351045016.db2.gz IXUZKSZESXUDKY-GHMZBOCLSA-N 0 1 294.355 0.694 10 0 CCAEMN CCc1nc([C@H]2CN(C(=O)c3cnsn3)CCO2)n[nH]1 ZINC000173572617 351045767 /nfs/dbraw/zinc/04/57/67/351045767.db2.gz YWVIVMAIRAWEND-MRVPVSSYSA-N 0 1 294.340 0.432 10 0 CCAEMN O=C(CCc1nnc[nH]1)N1CCN2CCCC[C@@H]2C1 ZINC000177181561 351196399 /nfs/dbraw/zinc/19/63/99/351196399.db2.gz XTNBSXXEISDIIH-LLVKDONJSA-N 0 1 263.345 0.434 10 0 CCAEMN CCN1C[C@H](C(=O)N2CCCC[C@@H]2c2nnc[nH]2)CC1=O ZINC000181393309 351315712 /nfs/dbraw/zinc/31/57/12/351315712.db2.gz BUJRSBOAWAQNAG-GHMZBOCLSA-N 0 1 291.355 0.727 10 0 CCAEMN CC(C)C[C@H](C)N(C)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185175915 351435977 /nfs/dbraw/zinc/43/59/77/351435977.db2.gz ZOQKAWZKPXAXNV-YNEHKIRRSA-N 0 1 272.389 0.307 10 0 CCAEMN C[C@@H](NC(=O)c1[nH]nc2c1CNCC2)[C@@H]1CCCO1 ZINC000188380755 351590775 /nfs/dbraw/zinc/59/07/75/351590775.db2.gz JXDIMPAVKNMMAC-KCJUWKMLSA-N 0 1 264.329 0.353 10 0 CCAEMN CN1CCCN(C(=O)c2cc(C3CC3)[nH]n2)CC1=O ZINC000189778761 351701959 /nfs/dbraw/zinc/70/19/59/351701959.db2.gz JNLYKIBCQPTIPM-UHFFFAOYSA-N 0 1 262.313 0.591 10 0 CCAEMN CC1(C)CC[C@H](CNS(=O)(=O)CCN2CCCC2)O1 ZINC000192915230 351803916 /nfs/dbraw/zinc/80/39/16/351803916.db2.gz MLQUPQXIDNCIIS-GFCCVEGCSA-N 0 1 290.429 0.959 10 0 CCAEMN CCN(CC)CCN1CC[C@H](C)S(=O)(=O)CC1 ZINC000191754332 351771121 /nfs/dbraw/zinc/77/11/21/351771121.db2.gz OMKWQEARSKQEQS-LBPRGKRZSA-N 0 1 262.419 0.837 10 0 CCAEMN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000223782931 351990198 /nfs/dbraw/zinc/99/01/98/351990198.db2.gz JDGHWIGYXJJYLC-JGVFFNPUSA-N 0 1 277.284 0.393 10 0 CCAEMN Cc1cc(NC[C@H](N)C(N)=O)ccc1Br ZINC000232431809 352144109 /nfs/dbraw/zinc/14/41/09/352144109.db2.gz RJQQCCUWOKRJEX-VIFPVBQESA-N 0 1 272.146 0.982 10 0 CCAEMN Cn1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(=O)n(C)c1=O ZINC000245545186 352328988 /nfs/dbraw/zinc/32/89/88/352328988.db2.gz SXSVZJUOIZNNGD-OLZOCXBDSA-N 0 1 293.367 0.227 10 0 CCAEMN Cn1cc(CN2CCO[C@H]3CCCC[C@H]32)c(=O)n(C)c1=O ZINC000245545186 352328992 /nfs/dbraw/zinc/32/89/92/352328992.db2.gz SXSVZJUOIZNNGD-OLZOCXBDSA-N 0 1 293.367 0.227 10 0 CCAEMN CCCCNC(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246379255 352363185 /nfs/dbraw/zinc/36/31/85/352363185.db2.gz IAGSHJVSODAQDZ-KBPBESRZSA-N 0 1 283.416 0.555 10 0 CCAEMN CC[C@H](C)NC(=O)CN1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247064220 352396748 /nfs/dbraw/zinc/39/67/48/352396748.db2.gz GBKUOWDCPHDQQF-IHRRRGAJSA-N 0 1 285.432 0.678 10 0 CCAEMN C[C@@H]1CN2CCC[C@H]2CN1C(=O)CCCS(C)(=O)=O ZINC000247522127 352419499 /nfs/dbraw/zinc/41/94/99/352419499.db2.gz WWBPVQIHBYLCMZ-NEPJUHHUSA-N 0 1 288.413 0.506 10 0 CCAEMN C[C@@H]1CCCN(C(=O)CN2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247227825 352404893 /nfs/dbraw/zinc/40/48/93/352404893.db2.gz WTHLHGOBIOLJJM-HUUCEWRRSA-N 0 1 295.427 0.651 10 0 CCAEMN CO[C@H](C)[C@H](C)NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248896275 352464959 /nfs/dbraw/zinc/46/49/59/352464959.db2.gz ZWEOJESYYXKPKS-MROQNXINSA-N 0 1 287.404 0.506 10 0 CCAEMN COC(=O)C1(NC(=O)C[C@H]2COCCN2)CCC(C)CC1 ZINC000262027210 352570256 /nfs/dbraw/zinc/57/02/56/352570256.db2.gz DNPXPJITSWKEMH-AVERBVTBSA-N 0 1 298.383 0.603 10 0 CCAEMN CN1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000265581233 352647593 /nfs/dbraw/zinc/64/75/93/352647593.db2.gz IKOJAMWRHGGTOV-STQMWFEESA-N 0 1 289.383 0.656 10 0 CCAEMN C[C@H](O)CN1CCN(c2nccn3cnnc23)C[C@H]1C ZINC000266451119 352703400 /nfs/dbraw/zinc/70/34/00/352703400.db2.gz NZIKXJRKMPGHHX-MNOVXSKESA-N 0 1 276.344 0.016 10 0 CCAEMN CN(C)C[C@@H]1CN(CC(=O)c2cccn2C)CCO1 ZINC000155295419 188196974 /nfs/dbraw/zinc/19/69/74/188196974.db2.gz KKKALTUBRAISQQ-GFCCVEGCSA-N 0 1 265.357 0.470 10 0 CCAEMN COc1c(CNCC2([S@](C)=O)CC2)c(C)nn1C ZINC000282532047 353432875 /nfs/dbraw/zinc/43/28/75/353432875.db2.gz ZBAPENWSMUJNJM-SFHVURJKSA-N 0 1 271.386 0.738 10 0 CCAEMN COc1c(CNCC2([S@@](C)=O)CC2)c(C)nn1C ZINC000282532046 353433079 /nfs/dbraw/zinc/43/30/79/353433079.db2.gz ZBAPENWSMUJNJM-GOSISDBHSA-N 0 1 271.386 0.738 10 0 CCAEMN COC(=O)c1cnc(N2CCN3CCCC[C@H]3C2)cn1 ZINC000300416727 354064600 /nfs/dbraw/zinc/06/46/00/354064600.db2.gz VXJJBYSQZIHGPL-NSHDSACASA-N 0 1 276.340 0.938 10 0 CCAEMN CN1CCO[C@@H]2CCN(c3ncnc4[nH]ccc43)C[C@@H]21 ZINC000328946248 283000146 /nfs/dbraw/zinc/00/01/46/283000146.db2.gz JYANJORMVKBAGT-NWDGAFQWSA-N 0 1 273.340 0.867 10 0 CCAEMN Cc1c(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)cnn1C ZINC000310375995 354188949 /nfs/dbraw/zinc/18/89/49/354188949.db2.gz ZUUPOLCBIHDOAY-MWLCHTKSSA-N 0 1 257.359 0.394 10 0 CCAEMN CC(C)(C)c1ccnc(NCC(=O)N2CCNCC2)n1 ZINC000313172036 354212496 /nfs/dbraw/zinc/21/24/96/354212496.db2.gz JLPBPNRFNBAWSJ-UHFFFAOYSA-N 0 1 277.372 0.618 10 0 CCAEMN O=C(c1cc(F)cc2nn[nH]c21)N1CC[C@@H](CCO)C1 ZINC000328660883 354247072 /nfs/dbraw/zinc/24/70/72/354247072.db2.gz WDIQVTCRRPBVKF-QMMMGPOBSA-N 0 1 278.287 0.942 10 0 CCAEMN Cc1nc([C@@H]2CCCCN2C(=O)CCn2ccnn2)n[nH]1 ZINC000328709364 202024256 /nfs/dbraw/zinc/02/42/56/202024256.db2.gz FVPBMZRNWFHIIZ-NSHDSACASA-N 0 1 289.343 0.849 10 0 CCAEMN Cc1cnc(CN2CCOC[C@@H]2c2nnc[nH]2)cn1 ZINC000328921651 202113418 /nfs/dbraw/zinc/11/34/18/202113418.db2.gz UCSSGICEFUPSCV-LLVKDONJSA-N 0 1 260.301 0.477 10 0 CCAEMN CN1CCO[C@H]2CCN(c3nnc(C4CC4)o3)C[C@@H]21 ZINC000329002743 202145958 /nfs/dbraw/zinc/14/59/58/202145958.db2.gz WKHAKNRWVOMRDM-QWRGUYRKSA-N 0 1 264.329 0.856 10 0 CCAEMN C[C@H](c1cnn(C)c1)N(C)C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000329020585 202153596 /nfs/dbraw/zinc/15/35/96/202153596.db2.gz HTFOKKBRQMUWLA-NXEZZACHSA-N 0 1 288.355 0.863 10 0 CCAEMN C[C@H](c1cnn(C)c1)N(C)C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000329020585 202153599 /nfs/dbraw/zinc/15/35/99/202153599.db2.gz HTFOKKBRQMUWLA-NXEZZACHSA-N 0 1 288.355 0.863 10 0 CCAEMN CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](n3cncn3)C2)N(C)C1 ZINC000329035882 202161625 /nfs/dbraw/zinc/16/16/25/202161625.db2.gz REAOWEPLTBOJLZ-AVGNSLFASA-N 0 1 293.371 0.161 10 0 CCAEMN O=C(CCc1ccncc1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000403969526 357811625 /nfs/dbraw/zinc/81/16/25/357811625.db2.gz AWHMNGPZYWTIEB-ZIAGYGMSSA-N 0 1 275.352 0.604 10 0 CCAEMN CCOCCCC(=O)N1CC[C@H]2OCCN[C@H]2C1 ZINC000404050733 357814675 /nfs/dbraw/zinc/81/46/75/357814675.db2.gz DZNHFWJVNTYCSF-NWDGAFQWSA-N 0 1 256.346 0.392 10 0 CCAEMN Cc1noc([C@@H](C)N2CCN(CC3(O)CCC3)CC2)n1 ZINC000407950680 357834896 /nfs/dbraw/zinc/83/48/96/357834896.db2.gz CINHISVBUASQDU-LLVKDONJSA-N 0 1 280.372 0.972 10 0 CCAEMN CCc1nn(C)cc1C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000408040996 357882685 /nfs/dbraw/zinc/88/26/85/357882685.db2.gz KETHWPUUPHPQRS-ZIAGYGMSSA-N 0 1 292.383 0.528 10 0 CCAEMN C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC000408211162 357973814 /nfs/dbraw/zinc/97/38/14/357973814.db2.gz MYLQWGOCRKDHEA-XJFOESAGSA-N 0 1 299.415 0.650 10 0 CCAEMN C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCO[C@H]2C)C[C@@H]1C ZINC000408210720 357973934 /nfs/dbraw/zinc/97/39/34/357973934.db2.gz JYXGPHGBGFBQCU-ZDEQEGDKSA-N 0 1 285.388 0.260 10 0 CCAEMN COC1CCN(C(=O)N2CCCN(CCO)CC2)CC1 ZINC000408284283 358009340 /nfs/dbraw/zinc/00/93/40/358009340.db2.gz WDFOXZKLNOEDRD-UHFFFAOYSA-N 0 1 285.388 0.217 10 0 CCAEMN CC(C)[C@@](C)(O)C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000408301620 358021631 /nfs/dbraw/zinc/02/16/31/358021631.db2.gz BNGMADBWCDLADQ-GXFFZTMASA-N 0 1 266.345 0.918 10 0 CCAEMN CC(C)[C@@H](CO)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000408351696 358046811 /nfs/dbraw/zinc/04/68/11/358046811.db2.gz HRXKVERYGRBAQU-DZGCQCFKSA-N 0 1 298.427 0.963 10 0 CCAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000408386921 358067930 /nfs/dbraw/zinc/06/79/30/358067930.db2.gz QHXSHPLUBVMJSE-QMMMGPOBSA-N 0 1 292.792 0.398 10 0 CCAEMN CCN(C)S(=O)(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000408433651 358091902 /nfs/dbraw/zinc/09/19/02/358091902.db2.gz NEOWBGAMHSTDIS-SECBINFHSA-N 0 1 273.362 0.181 10 0 CCAEMN CC[N@H+]1CCC[C@@H](Nc2ccc3nc(C)nn3n2)C1 ZINC000329311818 202275911 /nfs/dbraw/zinc/27/59/11/202275911.db2.gz PVJJCRWUEWTPJR-LLVKDONJSA-N 0 1 260.345 0.751 10 0 CCAEMN NS(=O)(=O)N1CCNC[C@@H]1c1cc2ccccc2cn1 ZINC000616636088 365394829 /nfs/dbraw/zinc/39/48/29/365394829.db2.gz OGHCYYMTJVHHIW-CYBMUJFWSA-N 0 1 292.364 0.385 10 0 CCAEMN O=C([O-])c1ccc([C@H]2COCC[N@H+](CCO)C2)cc1 ZINC000616661597 365414083 /nfs/dbraw/zinc/41/40/83/365414083.db2.gz VEPLALFJUCFSOI-CYBMUJFWSA-N 0 1 265.309 0.793 10 0 CCAEMN CCn1cc(O[C@@H]2CN(CCOC3CCC3)C[C@H]2O)cn1 ZINC000625615841 368270896 /nfs/dbraw/zinc/27/08/96/368270896.db2.gz VMOWSLLSGHYENC-HUUCEWRRSA-N 0 1 295.383 0.896 10 0 CCAEMN CCn1cc(O[C@@H]2CN(Cc3ccn(C)c3)C[C@H]2O)cn1 ZINC000628375578 369253734 /nfs/dbraw/zinc/25/37/34/369253734.db2.gz NDLMGUQTXAWNAL-HUUCEWRRSA-N 0 1 290.367 0.866 10 0 CCAEMN CC[C@@H]1CN(C(=O)Nc2ccn(C)n2)CCN1C[C@H](C)O ZINC000246824289 285033825 /nfs/dbraw/zinc/03/38/25/285033825.db2.gz AUMTUKBHYUBVBT-NWDGAFQWSA-N 0 1 295.387 0.729 10 0 CCAEMN CC[C@H]1CN(C(=O)Nc2ccn(C)n2)CCN1C[C@H](C)O ZINC000246824306 285033842 /nfs/dbraw/zinc/03/38/42/285033842.db2.gz AUMTUKBHYUBVBT-RYUDHWBXSA-N 0 1 295.387 0.729 10 0 CCAEMN CCn1c(C)nnc1CN1CCN(CCOC)[C@@H](C)C1 ZINC000247232722 285045478 /nfs/dbraw/zinc/04/54/78/285045478.db2.gz RJVLYHFXZZDVOR-LBPRGKRZSA-N 0 1 281.404 0.759 10 0 CCAEMN C[C@@H]1CCC[C@H]1C(=O)NCCN1CCC(O)CC1 ZINC000321424855 285179510 /nfs/dbraw/zinc/17/95/10/285179510.db2.gz JJZFJVOHMIIPID-DGCLKSJQSA-N 0 1 254.374 0.996 10 0 CCAEMN Cc1cc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)[nH]n1 ZINC000285846098 388804303 /nfs/dbraw/zinc/80/43/03/388804303.db2.gz QBTHZBCNNCAXKP-RYUDHWBXSA-N 0 1 264.329 0.263 10 0 CCAEMN CC[C@@H]1CN(C(=O)Cc2ccn(C)n2)CCN1CCOC ZINC000183626456 388760180 /nfs/dbraw/zinc/76/01/80/388760180.db2.gz XLYLHLYSTATJGL-CQSZACIVSA-N 0 1 294.399 0.532 10 0 CCAEMN O[C@]1(c2c[nH]nn2)CCN(c2ccc(Cl)cn2)C1 ZINC000284564700 388778645 /nfs/dbraw/zinc/77/86/45/388778645.db2.gz OOLFWWWFLCRAIB-LLVKDONJSA-N 0 1 265.704 0.951 10 0 CCAEMN CN(CC(=O)Nc1ccccc1)C(=O)[C@H]1CNCCO1 ZINC000043710357 388869931 /nfs/dbraw/zinc/86/99/31/388869931.db2.gz JLOJXKMDKGCPLK-GFCCVEGCSA-N 0 1 277.324 0.072 10 0 CCAEMN CCOC(=O)C1CCN([C@H]2CCCCNC2=O)CC1 ZINC000050499315 388926610 /nfs/dbraw/zinc/92/66/10/388926610.db2.gz XBTZFFZGVNDMOI-LBPRGKRZSA-N 0 1 268.357 0.930 10 0 CCAEMN COCCN1CCN(CCOCC(F)F)C[C@H]1C ZINC000189159967 388950300 /nfs/dbraw/zinc/95/03/00/388950300.db2.gz MUEVHUNIZJMSJO-LLVKDONJSA-N 0 1 266.332 0.921 10 0 CCAEMN C[C@](O)(CN1CC[C@@H](N2CCOCC2)C1)C(F)(F)F ZINC000336816934 389024349 /nfs/dbraw/zinc/02/43/49/389024349.db2.gz NXOBQYFKQPBMRA-MNOVXSKESA-N 0 1 282.306 0.706 10 0 CCAEMN CC(C)(C)OC(=O)N1CCN[C@@H](c2nnc[nH]2)C1 ZINC000307654482 389091807 /nfs/dbraw/zinc/09/18/07/389091807.db2.gz MMJVCJQOHYOBSH-MRVPVSSYSA-N 0 1 253.306 0.686 10 0 CCAEMN Cc1cc(C(=O)N2CCOC[C@@H]2c2nnc[nH]2)nc(C)n1 ZINC000328903197 389143969 /nfs/dbraw/zinc/14/39/69/389143969.db2.gz HOMZRGJOQVSPIL-LLVKDONJSA-N 0 1 288.311 0.425 10 0 CCAEMN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cnns1 ZINC000113229981 389129209 /nfs/dbraw/zinc/12/92/09/389129209.db2.gz SQHINFLGOIQOJV-RKDXNWHRSA-N 0 1 252.343 0.847 10 0 CCAEMN C[C@@H](O)CN1CCN(C(=O)Nc2ccnn2C)C[C@@H]1C ZINC000124930746 389163092 /nfs/dbraw/zinc/16/30/92/389163092.db2.gz XZASBKGKLYHARA-WDEREUQCSA-N 0 1 281.360 0.339 10 0 CCAEMN CC[C@H]1CN(C(=O)NCCOC)CCN1C[C@H](C)O ZINC000245839349 389218857 /nfs/dbraw/zinc/21/88/57/389218857.db2.gz CAIVSQKLEGCCNN-RYUDHWBXSA-N 0 1 273.377 0.119 10 0 CCAEMN CC1CCN(CC(=O)N2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000136270566 389265717 /nfs/dbraw/zinc/26/57/17/389265717.db2.gz OMXHGNGVLRWYAH-CYBMUJFWSA-N 0 1 281.400 0.798 10 0 CCAEMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@](O)(C(N)=O)C1 ZINC000367493562 389332704 /nfs/dbraw/zinc/33/27/04/389332704.db2.gz SORIPMVCUFZPRW-LALPHHSUSA-N 0 1 297.399 0.088 10 0 CCAEMN CCN(CC(=O)N1C[C@H](OC)C[C@H]1CO)C1CC1 ZINC000345261905 389295209 /nfs/dbraw/zinc/29/52/09/389295209.db2.gz OSVRGPCHCKIIKR-NWDGAFQWSA-N 0 1 256.346 0.079 10 0 CCAEMN CC[C@H]1CN(C(=O)N[C@@H]2CCO[C@@H]2C)CCN1C[C@H](C)O ZINC000333003858 389401346 /nfs/dbraw/zinc/40/13/46/389401346.db2.gz XBQWQFLUYVXVSS-RFQIPJPRSA-N 0 1 299.415 0.650 10 0 CCAEMN C[C@H](O)CN1CCN(c2ncc(F)cn2)C[C@H]1C ZINC000408446195 389351405 /nfs/dbraw/zinc/35/14/05/389351405.db2.gz IBWJLCHABQRQMB-ZJUUUORDSA-N 0 1 254.309 0.507 10 0 CCAEMN C[C@@H](NC(=O)N1CCNC[C@H]1C)[C@H]1CCCOC1 ZINC000333579026 389429432 /nfs/dbraw/zinc/42/94/32/389429432.db2.gz NKUJQCHZQMHLFB-UTUOFQBUSA-N 0 1 255.362 0.805 10 0 CCAEMN CCOC(=O)[C@H](CC)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000173675528 389507763 /nfs/dbraw/zinc/50/77/63/389507763.db2.gz GSPGBDKMCHSYTI-UPJWGTAASA-N 0 1 272.389 0.715 10 0 CCAEMN CC(=O)N(C)CC(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000335468156 389569870 /nfs/dbraw/zinc/56/98/70/389569870.db2.gz NVSOGXZDSOZMCE-DGCLKSJQSA-N 0 1 267.373 0.550 10 0 CCAEMN O=C([C@@H]1CCNCC1(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000335120206 389538061 /nfs/dbraw/zinc/53/80/61/389538061.db2.gz UBKMGIAVPQHVEQ-MNOVXSKESA-N 0 1 273.327 0.538 10 0 CCAEMN CC(C)N(C(=O)CN1C[C@@H](O)C[C@@H]1CO)C(C)C ZINC000179176751 389643663 /nfs/dbraw/zinc/64/36/63/389643663.db2.gz BZZZHQRCCZINBP-NEPJUHHUSA-N 0 1 258.362 0.059 10 0 CCAEMN COCCN1CCN(C[C@H](O)C(F)(F)F)C[C@H]1C ZINC000181688339 389691566 /nfs/dbraw/zinc/69/15/66/389691566.db2.gz KDMVKIXPKYSPIT-ZJUUUORDSA-N 0 1 270.295 0.562 10 0 CCAEMN Cc1nc([C@@H]2CN(C[C@H](O)C(F)(F)F)CCO2)n[nH]1 ZINC000181721991 389692459 /nfs/dbraw/zinc/69/24/59/389692459.db2.gz JEDUIVIFZFFHDN-YUMQZZPRSA-N 0 1 280.250 0.410 10 0 CCAEMN CCO[C@]1(C(=O)N[C@H](C)c2nnc[nH]2)CCOC1 ZINC000401733849 389802871 /nfs/dbraw/zinc/80/28/71/389802871.db2.gz QJAIJEOAHSWOLS-LDYMZIIASA-N 0 1 254.290 0.178 10 0 CCAEMN CC(C)[C@](C)(O)C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000408059205 389823725 /nfs/dbraw/zinc/82/37/25/389823725.db2.gz AAPACEUAXQDSBY-DYEKYZERSA-N 0 1 270.373 0.325 10 0 CCAEMN CC(C)[C@@](C)(O)C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000408301623 389840845 /nfs/dbraw/zinc/84/08/45/389840845.db2.gz BNGMADBWCDLADQ-ZWNOBZJWSA-N 0 1 266.345 0.918 10 0 CCAEMN Cc1cccnc1CN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617401 390298121 /nfs/dbraw/zinc/29/81/21/390298121.db2.gz GVVDUILQCKJACZ-AWEZNQCLSA-N 0 1 273.340 0.992 10 0 CCAEMN O=C(CN1CCC[C@@](O)(c2c[nH]nn2)C1)NC1CCCC1 ZINC000583618020 390298232 /nfs/dbraw/zinc/29/82/32/390298232.db2.gz VCTKFHZTVDDTON-AWEZNQCLSA-N 0 1 293.371 0.147 10 0 CCAEMN COC[C@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000643879124 390592901 /nfs/dbraw/zinc/59/29/01/390592901.db2.gz KVSKHAXFLPVLII-ZDUSSCGKSA-N 0 1 272.345 0.467 10 0 CCAEMN COC[C@]1(C(=O)[O-])CCC[N@H+]1CC(=O)NC(C)(C)C ZINC000643879124 390592906 /nfs/dbraw/zinc/59/29/06/390592906.db2.gz KVSKHAXFLPVLII-ZDUSSCGKSA-N 0 1 272.345 0.467 10 0 CCAEMN C[C@@H]1C[C@@H](O)CN(CCN2C(=O)c3ccccc3C2=O)C1 ZINC000306881098 533673527 /nfs/dbraw/zinc/67/35/27/533673527.db2.gz GYUDRSCBPBOUTR-VXGBXAGGSA-N 0 1 288.347 0.985 10 0 CCAEMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)N1CCOCC1 ZINC000252888912 297090969 /nfs/dbraw/zinc/09/09/69/297090969.db2.gz BYPBDFHODGWQTG-OLZOCXBDSA-N 0 1 267.373 0.997 10 0 CCAEMN CC[C@@H]1CN2CCC[C@@H]2CN1CCS(C)(=O)=O 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KFDWCQQLOKOHGF-GHMZBOCLSA-N 0 1 279.340 0.696 10 0 CCAEMN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC[N@H+]1C ZINC000694969350 976760105 /nfs/dbraw/zinc/76/01/05/976760105.db2.gz PJLHQGLKTGSKMC-USWWRNFRSA-N 0 1 281.356 0.942 10 0 CCAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000695166002 976786014 /nfs/dbraw/zinc/78/60/14/976786014.db2.gz JJMPGOQONLAWED-WDEREUQCSA-N 0 1 277.386 0.995 10 0 CCAEMN O=C([O-])c1ccc(CS(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000697368599 976841606 /nfs/dbraw/zinc/84/16/06/976841606.db2.gz NJVLWHOBBUQMEB-UHFFFAOYSA-N 0 1 298.364 0.510 10 0 CCAEMN CCc1noc(C)c1C[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000700800352 976977147 /nfs/dbraw/zinc/97/71/47/976977147.db2.gz SYZYMRPPTUDZCR-GZMMTYOYSA-N 0 1 254.286 0.565 10 0 CCAEMN CCc1noc(C)c1C[N@H+]1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000700800352 976977154 /nfs/dbraw/zinc/97/71/54/976977154.db2.gz SYZYMRPPTUDZCR-GZMMTYOYSA-N 0 1 254.286 0.565 10 0 CCAEMN C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000700809252 976979198 /nfs/dbraw/zinc/97/91/98/976979198.db2.gz WLKXVSFGMIGSTC-PRJMDXOYSA-N 0 1 254.252 0.919 10 0 CCAEMN CC[NH+]1CCN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC000702226054 977071281 /nfs/dbraw/zinc/07/12/81/977071281.db2.gz GNBQVNRTCRKRCU-LLVKDONJSA-N 0 1 267.329 0.507 10 0 CCAEMN C[N@@H+]1CC[C@](O)(CNCc2cc(C(=O)[O-])cs2)C1 ZINC000702605027 977096194 /nfs/dbraw/zinc/09/61/94/977096194.db2.gz STXKAVOSUHJNGV-LBPRGKRZSA-N 0 1 270.354 0.603 10 0 CCAEMN C[N@H+]1CC[C@](O)(CNCc2cc(C(=O)[O-])cs2)C1 ZINC000702605027 977096198 /nfs/dbraw/zinc/09/61/98/977096198.db2.gz STXKAVOSUHJNGV-LBPRGKRZSA-N 0 1 270.354 0.603 10 0 CCAEMN CO[C@@H]1C[N@@H+](CCC(=O)NC(C)C)[C@](C)(C(=O)[O-])C1 ZINC000702721564 977103863 /nfs/dbraw/zinc/10/38/63/977103863.db2.gz XZULSSBDNAZOBC-GWCFXTLKSA-N 0 1 272.345 0.465 10 0 CCAEMN CO[C@@H]1C[N@@H+](CCC(=O)N(C)C)[C@](C)(C(=O)[O-])C1 ZINC000702726287 977106793 /nfs/dbraw/zinc/10/67/93/977106793.db2.gz AXYGAPINCSHHKL-CABZTGNLSA-N 0 1 258.318 0.029 10 0 CCAEMN CO[C@H]1C[N@@H+](CCc2cnccn2)[C@](C)(C(=O)[O-])C1 ZINC000702727371 977108624 /nfs/dbraw/zinc/10/86/24/977108624.db2.gz XVXPNMCBXUVWNO-YPMHNXCESA-N 0 1 265.313 0.583 10 0 CCAEMN CO[C@@H]1C[N@@H+](CCc2cnccn2)[C@](C)(C(=O)[O-])C1 ZINC000702727368 977108942 /nfs/dbraw/zinc/10/89/42/977108942.db2.gz XVXPNMCBXUVWNO-AAEUAGOBSA-N 0 1 265.313 0.583 10 0 CCAEMN C[N@H+](CC(=O)N1CCC(C(=O)[O-])CC1)C[C@H]1C[C@@H](O)C1 ZINC000703680423 977175394 /nfs/dbraw/zinc/17/53/94/977175394.db2.gz ZOISEQUPGZXANH-KLPPZKSPSA-N 0 1 284.356 0.012 10 0 CCAEMN CO[C@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000703761820 977191441 /nfs/dbraw/zinc/19/14/41/977191441.db2.gz NJUXAGYOXOUVNP-GXTWGEPZSA-N 0 1 265.309 0.896 10 0 CCAEMN CN(C[C@H]1CCC[N@@H+](C)C1)c1nccc(C(=O)[O-])n1 ZINC000705114941 977267886 /nfs/dbraw/zinc/26/78/86/977267886.db2.gz XEAXDEICBZVHOT-JTQLQIEISA-N 0 1 264.329 0.953 10 0 CCAEMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C)CS(C)(=O)=O ZINC000705591101 977285067 /nfs/dbraw/zinc/28/50/67/977285067.db2.gz NBSDYEYRAWNCET-UTLUCORTSA-N 0 1 263.359 0.462 10 0 CCAEMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCCS(C)(=O)=O ZINC000705582795 977285178 /nfs/dbraw/zinc/28/51/78/977285178.db2.gz DGSJEHWBHZYVLL-VHSXEESVSA-N 0 1 263.359 0.606 10 0 CCAEMN COc1ncccc1C[N@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC000706428023 977317411 /nfs/dbraw/zinc/31/74/11/977317411.db2.gz RGTGFMTZCBSIQP-GFCCVEGCSA-N 0 1 252.270 0.112 10 0 CCAEMN O=C([O-])[C@]1(O)CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000706448012 977323895 /nfs/dbraw/zinc/32/38/95/977323895.db2.gz BOPJDOPCIBSRJF-YPMHNXCESA-N 0 1 257.330 0.449 10 0 CCAEMN CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC000706468017 977333391 /nfs/dbraw/zinc/33/33/91/977333391.db2.gz DMOHDRRYOTZGEF-KWBADKCTSA-N 0 1 272.345 0.201 10 0 CCAEMN C[N@H+]1CC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000710034144 977475662 /nfs/dbraw/zinc/47/56/62/977475662.db2.gz OWNJFAOOZQFDON-VIFPVBQESA-N 0 1 264.285 0.605 10 0 CCAEMN C[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@]1(C)C(=O)[O-] ZINC000710202878 977493084 /nfs/dbraw/zinc/49/30/84/977493084.db2.gz ATKAUTJHPMLGFT-CABZTGNLSA-N 0 1 255.318 0.054 10 0 CCAEMN Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)no1 ZINC000710227483 977495379 /nfs/dbraw/zinc/49/53/79/977495379.db2.gz GNCGBAAYTJVKDA-SDBXPKJASA-N 0 1 281.312 0.964 10 0 CCAEMN C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711389082 977540962 /nfs/dbraw/zinc/54/09/62/977540962.db2.gz KIYFVYPCBYJEND-BXKDBHETSA-N 0 1 271.338 0.764 10 0 CCAEMN C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1 ZINC000711606313 977555100 /nfs/dbraw/zinc/55/51/00/977555100.db2.gz ZWTJDNPLLNTABR-WDMOLILDSA-N 0 1 266.341 0.794 10 0 CCAEMN O=C([O-])[C@@]1(O)CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712437580 977582673 /nfs/dbraw/zinc/58/26/73/977582673.db2.gz JBLBMSBXOWZDIX-GXFFZTMASA-N 0 1 255.314 0.610 10 0 CCAEMN C[N@@H+]1CC=C(CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000715277760 977721904 /nfs/dbraw/zinc/72/19/04/977721904.db2.gz YXKGWDCUTWIAKD-GHMZBOCLSA-N 0 1 267.329 0.268 10 0 CCAEMN O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000715302843 977734103 /nfs/dbraw/zinc/73/41/03/977734103.db2.gz PYJREERZTXVKTN-GHMZBOCLSA-N 0 1 267.329 0.268 10 0 CCAEMN C[S@](=O)CC[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC000715789661 977786011 /nfs/dbraw/zinc/78/60/11/977786011.db2.gz SPIDDMRWXBUDQY-HSOHIQCKSA-N 0 1 259.371 0.942 10 0 CCAEMN Cn1nccc1C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000715856790 977794387 /nfs/dbraw/zinc/79/43/87/977794387.db2.gz ZNWHIJNWKGSUSO-GXFFZTMASA-N 0 1 265.313 0.343 10 0 CCAEMN O=C([O-])[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC000716288362 977826777 /nfs/dbraw/zinc/82/67/77/977826777.db2.gz ZGWXOTFICLVRAW-TUAOUCFPSA-N 0 1 269.341 0.856 10 0 CCAEMN C[C@@H]1[C@@H](NC(=O)NC2CC(CC(=O)[O-])C2)CC[N@H+]1C ZINC000719399203 978001969 /nfs/dbraw/zinc/00/19/69/978001969.db2.gz ZJCPLKQGUCZJHC-SFXRXQKFSA-N 0 1 269.345 0.632 10 0 CCAEMN C[C@@H]1[C@@H](NC(=O)NC2CC(C(=O)[O-])C2)CC[N@H+]1C ZINC000719403799 978002558 /nfs/dbraw/zinc/00/25/58/978002558.db2.gz GKRLLYGQXCBLJU-WOOKNIGNSA-N 0 1 255.318 0.241 10 0 CCAEMN C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cncc(C(=O)[O-])n1 ZINC000720868768 978072046 /nfs/dbraw/zinc/07/20/46/978072046.db2.gz HBCFIWFXUPXPGS-GHMZBOCLSA-N 0 1 262.313 0.848 10 0 CCAEMN C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ncc(C(=O)[O-])cn1 ZINC000720874808 978072081 /nfs/dbraw/zinc/07/20/81/978072081.db2.gz VAICYNBPPPEZDZ-QWRGUYRKSA-N 0 1 262.313 0.848 10 0 CCAEMN C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ncc(C(=O)[O-])cn1 ZINC000720874805 978072131 /nfs/dbraw/zinc/07/21/31/978072131.db2.gz VAICYNBPPPEZDZ-GHMZBOCLSA-N 0 1 262.313 0.848 10 0 CCAEMN C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ncc(C(=O)[O-])cn1 ZINC000720874810 978072503 /nfs/dbraw/zinc/07/25/03/978072503.db2.gz VAICYNBPPPEZDZ-WDEREUQCSA-N 0 1 262.313 0.848 10 0 CCAEMN C[C@@H]1C[N@H+](C[C@@H](O)CN2CCCC2)C[C@H]1CC(=O)[O-] ZINC000722608215 978149130 /nfs/dbraw/zinc/14/91/30/978149130.db2.gz DHIJJZMVFJVXQF-UPJWGTAASA-N 0 1 270.373 0.486 10 0 CCAEMN C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCCC2)C[C@H]1CC(=O)[O-] ZINC000722608215 978149136 /nfs/dbraw/zinc/14/91/36/978149136.db2.gz DHIJJZMVFJVXQF-UPJWGTAASA-N 0 1 270.373 0.486 10 0 CCAEMN CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722621726 978152436 /nfs/dbraw/zinc/15/24/36/978152436.db2.gz QNHJQWKCWFVKHH-JHJVBQTASA-N 0 1 272.389 0.730 10 0 CCAEMN CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722621726 978152440 /nfs/dbraw/zinc/15/24/40/978152440.db2.gz QNHJQWKCWFVKHH-JHJVBQTASA-N 0 1 272.389 0.730 10 0 CCAEMN C[C@@H](Cc1ncccc1C(N)=O)N1CCN(C)CC1 ZINC000095934900 185033285 /nfs/dbraw/zinc/03/32/85/185033285.db2.gz AVWRJJWMNDIYDB-NSHDSACASA-N 0 1 262.357 0.359 10 0 CCAEMN Cc1ccc([C@H](C)NCC(=O)NC(N)=O)cc1F ZINC000094955526 349579108 /nfs/dbraw/zinc/57/91/08/349579108.db2.gz LOMHXBQHQVLCNH-QMMMGPOBSA-N 0 1 253.277 0.980 10 0 CCAEMN CCCS(=O)(=O)CCN1C[C@H]2CCCN2C[C@@H]1C ZINC000113269510 349807034 /nfs/dbraw/zinc/80/70/34/349807034.db2.gz FLTHBMHMJPHACT-QWHCGFSZSA-N 0 1 274.430 0.980 10 0 CCAEMN CN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000116277799 349866916 /nfs/dbraw/zinc/86/69/16/349866916.db2.gz OPIFBLMRBZIQNA-CHWSQXEVSA-N 0 1 289.383 0.608 10 0 CCAEMN COCCCNC(=O)[C@H](C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116321282 349867991 /nfs/dbraw/zinc/86/79/91/349867991.db2.gz RDMWLHHFLVZNPU-STQMWFEESA-N 0 1 294.399 0.751 10 0 CCAEMN Cn1cc([C@@H]2CCN(CC(=O)N3CCCC3)C2)cn1 ZINC000116408261 349869918 /nfs/dbraw/zinc/86/99/18/349869918.db2.gz QCVPUNOMMIYHQY-GFCCVEGCSA-N 0 1 262.357 0.832 10 0 CCAEMN CCCNC(=O)[C@@H](C)N1CCN(C[C@@H](O)CC)CC1 ZINC000118856878 349909137 /nfs/dbraw/zinc/90/91/37/349909137.db2.gz FGBIJKWSPADHCY-OLZOCXBDSA-N 0 1 271.405 0.290 10 0 CCAEMN CCc1ccc(CN2CCC[C@](O)(C(N)=O)C2)nc1 ZINC000339190446 215004150 /nfs/dbraw/zinc/00/41/50/215004150.db2.gz NFYYERRJWDVPMO-CQSZACIVSA-N 0 1 263.341 0.456 10 0 CCAEMN CCN1CCN(C(=O)[C@H](N)COC)c2ccccc21 ZINC000262483147 137044584 /nfs/dbraw/zinc/04/45/84/137044584.db2.gz ZUXNXNGFMHEJAB-LLVKDONJSA-N 0 1 263.341 0.833 10 0 CCAEMN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H](N)COC ZINC000262511165 137045840 /nfs/dbraw/zinc/04/58/40/137045840.db2.gz JPAKBIHLQQYZEA-KBPBESRZSA-N 0 1 280.368 0.851 10 0 CCAEMN CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2[nH]nc3c2CNCC3)C1(C)C ZINC000262818407 137053854 /nfs/dbraw/zinc/05/38/54/137053854.db2.gz WFJHTJKRXHEJEF-BZHVJNSISA-N 0 1 292.383 0.845 10 0 CCAEMN COC[C@H](N)C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000262314737 137036860 /nfs/dbraw/zinc/03/68/60/137036860.db2.gz PNRUUOULZWEREY-QWRGUYRKSA-N 0 1 272.732 0.463 10 0 CCAEMN CC(C)(C)OC(=O)N1CC[N@H+]2C[C@H](c3nnn[n-]3)C[C@@H]2C1 ZINC000056705145 348593639 /nfs/dbraw/zinc/59/36/39/348593639.db2.gz KPJGJAMQQDPGGT-NXEZZACHSA-N 0 1 294.359 0.608 10 0 CCAEMN CC(C)(C)OC(=O)N1CCN2C[C@H](c3nn[nH]n3)C[C@@H]2C1 ZINC000056705145 348593646 /nfs/dbraw/zinc/59/36/46/348593646.db2.gz KPJGJAMQQDPGGT-NXEZZACHSA-N 0 1 294.359 0.608 10 0 CCAEMN C[C@@H]1CN(C2CCN(C(=O)c3cnns3)CC2)CCO1 ZINC000068095519 348797722 /nfs/dbraw/zinc/79/77/22/348797722.db2.gz GJJCMRDMPUQRTA-SNVBAGLBSA-N 0 1 296.396 0.863 10 0 CCAEMN COCCCNC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000079566118 349184192 /nfs/dbraw/zinc/18/41/92/349184192.db2.gz JUETUINVWHVMAR-CYBMUJFWSA-N 0 1 299.415 0.918 10 0 CCAEMN CCN(CC(=O)N1CCOC[C@@H]1c1nc(C)no1)C1CC1 ZINC000121156382 350025162 /nfs/dbraw/zinc/02/51/62/350025162.db2.gz RSFDXJJMESOKJB-GFCCVEGCSA-N 0 1 294.355 0.762 10 0 CCAEMN CCCN1C(=O)C[C@H](NCCOCC(F)(F)F)C1=O ZINC000104441447 186003369 /nfs/dbraw/zinc/00/33/69/186003369.db2.gz BVNJELHWHWXLSX-QMMMGPOBSA-N 0 1 282.262 0.692 10 0 CCAEMN COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105233580 186047443 /nfs/dbraw/zinc/04/74/43/186047443.db2.gz AUEBNANKGDLAEL-UHFFFAOYSA-N 0 1 284.404 0.054 10 0 CCAEMN CN1CCC[C@H](Nc2cnn(C)c(=O)c2Cl)C1 ZINC000134330973 350361657 /nfs/dbraw/zinc/36/16/57/350361657.db2.gz LEPPHANDICKARV-QMMMGPOBSA-N 0 1 256.737 0.940 10 0 CCAEMN CC[C@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)CC ZINC000136074896 350414749 /nfs/dbraw/zinc/41/47/49/350414749.db2.gz WTBJPSWRMAJHRA-QWHCGFSZSA-N 0 1 274.430 0.980 10 0 CCAEMN CC[C@H]1CN(CC(=O)N(CC)CC)CCN1C[C@@H](C)O ZINC000105825144 186074908 /nfs/dbraw/zinc/07/49/08/186074908.db2.gz QRDAOZWNACRHCN-KGLIPLIRSA-N 0 1 285.432 0.632 10 0 CCAEMN CC[C@@H]1CN(CC(=O)N(C)CC2CC2)CCN1CCOC ZINC000105837158 186076851 /nfs/dbraw/zinc/07/68/51/186076851.db2.gz ILCZYAVDLXQIEP-OAHLLOKOSA-N 0 1 297.443 0.897 10 0 CCAEMN CC[C@@H]1CN([C@@H](C)C(=O)OC)CCN1CCOC ZINC000105914552 186089538 /nfs/dbraw/zinc/08/95/38/186089538.db2.gz WDRYPZWAECHKPQ-NWDGAFQWSA-N 0 1 258.362 0.591 10 0 CCAEMN CN(C)CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000156563965 350631142 /nfs/dbraw/zinc/63/11/42/350631142.db2.gz HHRBJLYXQTWHME-NSHDSACASA-N 0 1 263.345 0.123 10 0 CCAEMN O=C1NCCN1CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000168674736 350830156 /nfs/dbraw/zinc/83/01/56/350830156.db2.gz WBQVVRNWTNUZFK-JSGCOSHPSA-N 0 1 267.373 0.639 10 0 CCAEMN 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